(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol

C9H13N5O — CID 141452762

IUPAC(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cnnn2C)n1C
InChIInChI=1S/C9H13N5O/c1-6-10-4-7(13(6)2)9(15)8-5-11-12-14(8)3/h4-5,9,15H,1-3H3
InChIKeyWQHORNMKGFPMLJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.06
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol

(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 141452762) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID141452762
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cnnn2C)n1C
InChIInChI=1S/C9H13N5O/c1-6-10-4-7(13(6)2)9(15)8-5-11-12-14(8)3/h4-5,9,15H,1-3H3
InChIKeyWQHORNMKGFPMLJ-UHFFFAOYSA-N
XLogP-0.06
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-Fluoroethyl)triazol-4-yl]-2-(2-nitrosoimidazol-1-yl)ethanol
CID 89230845
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]ethanol
CID 81444481
1-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]propan-1-ol
CID 113482636
1-(2,3-Dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol
CID 130641811
1-[1-(2-(18F)fluoroethyl)triazol-4-yl]-2-(2-nitroimidazol-1-yl)ethanol
CID 25183524
1-(1-Methylimidazol-4-yl)propan-1-ol
CID 59168933
1-(3-Methylimidazol-4-yl)propan-1-ol
CID 66117551
1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)ethanol
CID 90956298
(1-Methyl-1H-1,2,3-triazol-5-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 114685151
(1R)-2-(2-methyl-5-methylidenepyrrolidin-1-yl)-1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanol
CID 130451155
(3R)-1-[1-(3-tert-butyl-2-methylimidazol-4-yl)-2-methylpropan-2-yl]pyrrolidin-3-ol
CID 134184096
(1R)-1-(1-methylimidazol-4-yl)propan-1-ol
CID 134186189

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol (CID 141452762) is (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol is Cc1ncc(C(O)c2cnnn2C)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is WQHORNMKGFPMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-10-4-7(13(6)2)9(15)8-5-11-12-14(8)3/h4-5,9,15H,1-3H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol?
(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 207.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 141452762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).