4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol

C142H230ClN84O5S8+ — CID 160759674

IUPAC4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol
SMILESC.C.C.C.CC1C=CN=N1.C[N+]1=NCN=C1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cn[nH]c1.Cc1cncn1C.Cc1cncs1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnns1.Cc1csc(C)n1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1nccn1C.Cc1nccn1C.Cc1ncon1.Cc1ncsn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nncn1C.Cc1nnco1.Cc1nncs1.Cn1cc(C(N)=O)nn1.Cn1cc(CN)nn1.Cn1cc(CO)nn1.Cn1cc(Cl)cn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1
InChIInChI=1S/8C5H8N2.C5H7NS.C4H5ClN2.C4H6N4O.C4H8N4.C4H7N3O.C4H7N3.C4H6N2O.C4H6N2S.5C4H6N2.2C4H5NS.C3H5N3.C3H6N3.3C3H5N3.2C3H4N2O.4C3H4N2S.2C2H4N4.4CH4/c1-5-3-6-4-7(5)2;2*1-5-3-6-7(2)4-5;2*1-5-6-3-4-7(5)2;3*1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-7-3-4(5)2-6-7;1-8-2-3(4(5)9)6-7-8;1-8-3-4(2-5)6-7-8;1-7-2-4(3-8)5-6-7;1-4-6-5-3-7(4)2;2*1-3-5-6-4(2)7-3;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;;;;/h8*3-4H,1-2H3;3H,1-2H3;2-3H,1H3;2H,1H3,(H2,5,9);3H,2,5H2,1H3;2,8H,3H2,1H3;3H,1-2H3;2*1-2H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;3*2-3H,1H3;3H,2H2,1H3;3*2-3H,1H3;8*2H,1H3;4*1H4/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyPXOLCYVVJTZMAL-UHFFFAOYSA-N
MW3485.97 g/mol
LogP19.10
Rot. Bonds3

About 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol

4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol (PubChem CID 160759674) has the molecular formula C142H230ClN84O5S8+ and a molecular weight of 3485.97 g/mol. Its IUPAC name is 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol
PubChem CID160759674
Molecular FormulaC142H230ClN84O5S8+
Molecular Weight3485.97 g/mol
Exact Mass3482.78
IUPAC Name4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol
SMILESC.C.C.C.CC1C=CN=N1.C[N+]1=NCN=C1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cn[nH]c1.Cc1cncn1C.Cc1cncs1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnns1.Cc1csc(C)n1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1nccn1C.Cc1nccn1C.Cc1ncon1.Cc1ncsn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nncn1C.Cc1nnco1.Cc1nncs1.Cn1cc(C(N)=O)nn1.Cn1cc(CN)nn1.Cn1cc(CO)nn1.Cn1cc(Cl)cn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1
InChIInChI=1S/8C5H8N2.C5H7NS.C4H5ClN2.C4H6N4O.C4H8N4.C4H7N3O.C4H7N3.C4H6N2O.C4H6N2S.5C4H6N2.2C4H5NS.C3H5N3.C3H6N3.3C3H5N3.2C3H4N2O.4C3H4N2S.2C2H4N4.4CH4/c1-5-3-6-4-7(5)2;2*1-5-3-6-7(2)4-5;2*1-5-6-3-4-7(5)2;3*1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-7-3-4(5)2-6-7;1-8-2-3(4(5)9)6-7-8;1-8-3-4(2-5)6-7-8;1-7-2-4(3-8)5-6-7;1-4-6-5-3-7(4)2;2*1-3-5-6-4(2)7-3;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;;;;/h8*3-4H,1-2H3;3H,1-2H3;2-3H,1H3;2H,1H3,(H2,5,9);3H,2,5H2,1H3;2,8H,3H2,1H3;3H,1-2H3;2*1-2H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;3*2-3H,1H3;3H,2H2,1H3;3*2-3H,1H3;8*2H,1H3;4*1H4/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;
InChIKeyPXOLCYVVJTZMAL-UHFFFAOYSA-N
XLogP19.10
TPSA1012.38 Ų
H-Bond Donors5
H-Bond Acceptors93
Rotatable Bonds3
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003485.97
LogP ≤ 519.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1093

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol?
The IUPAC name of 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol (CID 160759674) is 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol.
What is the SMILES notation for 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol?
The canonical SMILES for 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol is C.C.C.C.CC1C=CN=N1.C[N+]1=NCN=C1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cn[nH]c1.Cc1cncn1C.Cc1cncs1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnns1.Cc1csc(C)n1.Cc1cscn1.Cc1csnn1.Cc1ncc[nH]1.Cc1nccn1C.Cc1nccn1C.Cc1ncon1.Cc1ncsn1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nncn1C.Cc1nnco1.Cc1nncs1.Cn1cc(C(N)=O)nn1.Cn1cc(CN)nn1.Cn1cc(CO)nn1.Cn1cc(Cl)cn1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnc1.Cn1cnnn1.Cn1nccn1.Cn1ncnn1.
What is the InChIKey of 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol?
The InChIKey is PXOLCYVVJTZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/8C5H8N2.C5H7NS.C4H5ClN2.C4H6N4O.C4H8N4.C4H7N3O.C4H7N3.C4H6N2O.C4H6N2S.5C4H6N2.2C4H5NS.C3H5N3.C3H6N3.3C3H5N3.2C3H4N2O.4C3H4N2S.2C2H4N4.4CH4/c1-5-3-6-4-7(5)2;2*1-5-3-6-7(2)4-5;2*1-5-6-3-4-7(5)2;3*1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-7-3-4(5)2-6-7;1-8-2-3(4(5)9)6-7-8;1-8-3-4(2-5)6-7-8;1-7-2-4(3-8)5-6-7;1-4-6-5-3-7(4)2;2*1-3-5-6-4(2)7-3;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-6-2-3-4-5-6;1-6-4-2-3-5-6;;;;/h8*3-4H,1-2H3;3H,1-2H3;2-3H,1H3;2H,1H3,(H2,5,9);3H,2,5H2,1H3;2,8H,3H2,1H3;3H,1-2H3;2*1-2H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;3*2-3H,1H3;3H,2H2,1H3;3*2-3H,1H3;8*2H,1H3;4*1H4/q;;;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;;.
What are the key properties of 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol?
4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol has a molecular weight of 3485.97 g/mol, XLogP of 19.10, 3 rotatable bonds, 5 hydrogen bond donors, and 93 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylpyrazole;bis(1,2-dimethylimidazole);1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;tris(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;3,4-dimethyl-1,2,4-triazole;methane;1-methylimidazole;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;1-methylpyrazole;3-methyl-3H-pyrazole;4-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;1-methyltriazole-4-carboxamide;1-methyl-3H-1,2,4-triazol-1-ium;(1-methyltriazol-4-yl)methanamine;(1-methyltriazol-4-yl)methanol is sourced from PubChem (CID 160759674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).