3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol

C9H13N5O — CID 114529827

IUPAC3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cn[nH]n1
InChIInChI=1S/C9H13N5O/c1-14-5-4-10-9(14)3-2-8(15)7-6-11-13-12-7/h4-6,8,15H,2-3H2,1H3,(H,11,12,13)
InChIKeyIBYALKQASBZPHS-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.20
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol

3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol (PubChem CID 114529827) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
PubChem CID114529827
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1cn[nH]n1
InChIInChI=1S/C9H13N5O/c1-14-5-4-10-9(14)3-2-8(15)7-6-11-13-12-7/h4-6,8,15H,2-3H2,1H3,(H,11,12,13)
InChIKeyIBYALKQASBZPHS-UHFFFAOYSA-N
XLogP0.20
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105066465
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol (CID 114529827) is 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol is Cn1ccnc1CCC(O)c1cn[nH]n1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
The InChIKey is IBYALKQASBZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14-5-4-10-9(14)3-2-8(15)7-6-11-13-12-7/h4-6,8,15H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol?
3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol has a molecular weight of 207.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol is sourced from PubChem (CID 114529827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).