3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole

C25H40N18 — CID 160535017

IUPAC3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole
SMILESCC1=NN=NC1.Cc1cc[nH]c1.Cc1cnc[nH]1.Cc1n[nH]c(C)n1.Cc1nn[nH]n1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/C5H7N.C4H7N3.2C4H6N2.2C3H5N3.C2H4N4/c1-5-2-3-6-4-5;1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-4,6H,1H3;1-2H3,(H,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3;2H2,1H3;1H3,(H,3,4,5,6)
InChIKeyQWASHNDFBLQDFN-UHFFFAOYSA-N
MW592.72 g/mol
LogP3.03
Rot. Bonds

About 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole

3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole (PubChem CID 160535017) has the molecular formula C25H40N18 and a molecular weight of 592.72 g/mol. Its IUPAC name is 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole
PubChem CID160535017
Molecular FormulaC25H40N18
Molecular Weight592.72 g/mol
Exact Mass592.37
IUPAC Name3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole
SMILESCC1=NN=NC1.Cc1cc[nH]c1.Cc1cnc[nH]1.Cc1n[nH]c(C)n1.Cc1nn[nH]n1.Cn1ccnc1.Cn1cncn1
InChIInChI=1S/C5H7N.C4H7N3.2C4H6N2.2C3H5N3.C2H4N4/c1-5-2-3-6-4-5;1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-4,6H,1H3;1-2H3,(H,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3;2H2,1H3;1H3,(H,3,4,5,6)
InChIKeyQWASHNDFBLQDFN-UHFFFAOYSA-N
XLogP3.03
TPSA226.11 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.72
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole with MolForge

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Launch Full Analysis

Related Compounds

1H-imidazole;4-methyl-1,4-dihydropyridine;5-methyl-1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole;5-(trifluoromethyl)-1H-1,2,4-triazole
CID 158892585
1,4-dimethylpyrazole;1,5-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2-ethyl-1-methylimidazole;4-methyl-1H-pyrazole;1-methylpyrrole;4-methyl-5-(trifluoromethyl)-1H-pyrazole;3,4,5-trimethyl-1H-pyrazole
CID 160303902
2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165008652
1H-imidazole;1H-pyrazole;1H-pyrrole;2H-tetrazole;2H-triazole
CID 69966674
4,5,9,10,14,15,22,24-octakis(2,4-dimethyl-1H-imidazol-3-ium-3-yl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 122699981
3-[5-[5-[6-(1H-imidazol-5-yl)-1,2,4,5-tetrazin-3-yl]imidazol-1-yl]-1H-pyrazol-4-yl]-6-[5-[5-[6-(1H-pyrazol-5-yl)-1,2,4,5-tetrazin-3-yl]pyrazol-1-yl]-1H-pyrazol-4-yl]-1,2,4,5-tetrazine
CID 129162520
3-N-[1-[[2-[4-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]amino]-1H-pyrrol-2-yl]ethyl-[5-[(2-methyl-1H-pyrrol-3-yl)amino]-1H-1,2,4-triazol-3-yl]amino]methyl]-4-methylpyrrol-3-yl]-1H-1,2,4-triazole-3,5-diamine
CID 130243691
5-imidazol-1-yl-4-(1H-imidazol-2-yl)-3-(1H-imidazol-5-yl)-3-pyrrol-1-yl-2-(1H-pyrrol-2-yl)-1-(1H-pyrrol-3-yl)pyrazole
CID 141167221
3-(4,5-dihydroimidazol-1-yl)-6-(1,3-dihydropyrazol-2-yl)-2-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-5-pyrazolidin-1-yl-1-(1H-pyrrol-2-yl)-2H-pyridine
CID 141357548
1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-1,2,4-triazole
CID 141442220
5-[(4-methylimidazol-1-yl)methyl]-3-[2-(1H-pyrrol-3-yl)ethyl]-1H-1,2,4-triazole
CID 156358222
1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-3-methylpyrazole;hexakis(2,2-dimethylpropane);2-ethenyl-1H-imidazole;5-ethenyl-1H-pyrazole;5-ethenyl-2H-pyrrole;5-methyl-1H-pyrazole;2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
CID 157052577

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole?
The IUPAC name of 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole (CID 160535017) is 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole.
What is the SMILES notation for 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole?
The canonical SMILES for 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole is CC1=NN=NC1.Cc1cc[nH]c1.Cc1cnc[nH]1.Cc1n[nH]c(C)n1.Cc1nn[nH]n1.Cn1ccnc1.Cn1cncn1.
What is the InChIKey of 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole?
The InChIKey is QWASHNDFBLQDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H7N3.2C4H6N2.2C3H5N3.C2H4N4/c1-5-2-3-6-4-5;1-3-5-4(2)7-6-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-3-4-2-5-6;1-3-2-4-6-5-3;1-2-3-5-6-4-2/h2-4,6H,1H3;1-2H3,(H,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3;2H2,1H3;1H3,(H,3,4,5,6).
What are the key properties of 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole?
3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole has a molecular weight of 592.72 g/mol, XLogP of 3.03, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-1,2,4-triazole;1-methylimidazole;5-methyl-1H-imidazole;3-methyl-1H-pyrrole;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;5-methyl-4H-triazole is sourced from PubChem (CID 160535017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).