N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline

C152H183ClN36O10S2 — CID 164956291

IUPACN,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
SMILESCCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C2N=CN=N2)c1
InChIInChI=1S/C14H20O2.C12H18N2O.C12H12N2.C10H11ClO2.C10H13N5.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.3C9H12N2O.C8H8N2/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-3-7-4-8(10(12)13-2)6-9(11)5-7;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;3*1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-4-2-3-7(5-8)6-9/h7-9H,6H2,1-5H3;5-9,13H,1-4H3;2-9,13H,1H3;4-6H,3H2,1-2H3;4-6,11H,1-3H3;2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;3*3-6,10H,1-2H3,(H,11,12);2-5,10H,1H3
InChIKeyBFEWXYHWPSATQA-UHFFFAOYSA-N
MW2773.96 g/mol
LogP30.80
Rot. Bonds32

About N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline

N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (PubChem CID 164956291) has the molecular formula C152H183ClN36O10S2 and a molecular weight of 2773.96 g/mol. Its IUPAC name is N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
PubChem CID164956291
Molecular FormulaC152H183ClN36O10S2
Molecular Weight2773.96 g/mol
Exact Mass2771.40
IUPAC NameN,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
SMILESCCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C2N=CN=N2)c1
InChIInChI=1S/C14H20O2.C12H18N2O.C12H12N2.C10H11ClO2.C10H13N5.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.3C9H12N2O.C8H8N2/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-3-7-4-8(10(12)13-2)6-9(11)5-7;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;3*1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-4-2-3-7(5-8)6-9/h7-9H,6H2,1-5H3;5-9,13H,1-4H3;2-9,13H,1H3;4-6H,3H2,1-2H3;4-6,11H,1-3H3;2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;3*3-6,10H,1-2H3,(H,11,12);2-5,10H,1H3
InChIKeyBFEWXYHWPSATQA-UHFFFAOYSA-N
XLogP30.80
TPSA590.32 Ų
H-Bond Donors19
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002773.96
LogP ≤ 530.80
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1043

Analyze N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (CID 164956291) is N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is CCc1cc(C(=O)OC)cc(C(C)(C)C)c1.CCc1cc(Cl)cc(C(=O)OC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C)cc(-c2nnnn2C)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2ccncc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C#N)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C2N=CN=N2)c1.
What is the InChIKey of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?
The InChIKey is BFEWXYHWPSATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C12H18N2O.C12H12N2.C10H11ClO2.C10H13N5.2C10H12N4O.C10H11N3.2C10H10N2S.C9H10N4.3C9H12N2O.C8H8N2/c1-6-10-7-11(13(15)16-5)9-12(8-10)14(2,3)4;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-13-12-4-2-3-11(9-12)10-5-7-14-8-6-10;1-3-7-4-8(10(12)13-2)6-9(11)5-7;1-7-4-8(6-9(5-7)11-2)10-12-13-14-15(10)3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;2*1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;3*1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-4-2-3-7(5-8)6-9/h7-9H,6H2,1-5H3;5-9,13H,1-4H3;2-9,13H,1H3;4-6H,3H2,1-2H3;4-6,11H,1-3H3;2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);2*2-7,11H,1H3;2-6,9-10H,1H3;3*3-6,10H,1-2H3,(H,11,12);2-5,10H,1H3.
What are the key properties of N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?
N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline has a molecular weight of 2773.96 g/mol, XLogP of 30.80, 32 rotatable bonds, 19 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-(1-methyltetrazol-5-yl)aniline;3-(methylamino)benzonitrile;methyl 3-tert-butyl-5-ethylbenzoate;methyl 3-chloro-5-ethylbenzoate;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 164956291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).