imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol

C15H23N9O4 — CID 160532298

IUPACimidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol
SMILESOCn1cccc1.OCn1ccnc1.OCn1ccnn1.OCn1cncn1
InChIInChI=1S/C5H7NO.C4H6N2O.2C3H5N3O/c7-5-6-3-1-2-4-6;7-4-6-2-1-5-3-6;7-3-6-2-4-1-5-6;7-3-6-2-1-4-5-6/h1-4,7H,5H2;1-3,7H,4H2;2*1-2,7H,3H2
InChIKeyQVRYJSMDQHMGPQ-UHFFFAOYSA-N
MW393.41 g/mol
LogP-1.27
Rot. Bonds4

About imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol

imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol (PubChem CID 160532298) has the molecular formula C15H23N9O4 and a molecular weight of 393.41 g/mol. Its IUPAC name is imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol.

Molecular Properties

Compound Nameimidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol
PubChem CID160532298
Molecular FormulaC15H23N9O4
Molecular Weight393.41 g/mol
Exact Mass393.19
IUPAC Nameimidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol
SMILESOCn1cccc1.OCn1ccnc1.OCn1ccnn1.OCn1cncn1
InChIInChI=1S/C5H7NO.C4H6N2O.2C3H5N3O/c7-5-6-3-1-2-4-6;7-4-6-2-1-5-3-6;7-3-6-2-4-1-5-6;7-3-6-2-1-4-5-6/h1-4,7H,5H2;1-3,7H,4H2;2*1-2,7H,3H2
InChIKeyQVRYJSMDQHMGPQ-UHFFFAOYSA-N
XLogP-1.27
TPSA165.09 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triazol-1-ylmethanol
CID 15568557
2-imidazol-1-ylethanol
CID 159023310
1-ethylimidazole;hydroiodide
CID 66751695
1-[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 137341935
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
1-[2-(imidazol-1-ylmethyl)-4-methylpentyl]pyrazole
CID 57138453
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
1,2,4-triazol-1-ylmethylphosphane
CID 67877171
1,2,4-triazol-1-ylmethylsilane
CID 123456022
1-[10-(1,2,4-triazol-1-yl)anthracen-9-yl]triazole
CID 175284463
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365

Frequently Asked Questions

What is the IUPAC name of imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol?
The IUPAC name of imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol (CID 160532298) is imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol.
What is the SMILES notation for imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol?
The canonical SMILES for imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol is OCn1cccc1.OCn1ccnc1.OCn1ccnn1.OCn1cncn1.
What is the InChIKey of imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol?
The InChIKey is QVRYJSMDQHMGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C4H6N2O.2C3H5N3O/c7-5-6-3-1-2-4-6;7-4-6-2-1-5-3-6;7-3-6-2-4-1-5-6;7-3-6-2-1-4-5-6/h1-4,7H,5H2;1-3,7H,4H2;2*1-2,7H,3H2.
What are the key properties of imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol?
imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol has a molecular weight of 393.41 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylmethanol;pyrrol-1-ylmethanol;triazol-1-ylmethanol;1,2,4-triazol-1-ylmethanol is sourced from PubChem (CID 160532298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).