[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol

C8H9N5O — CID 130484667

IUPAC[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(-n2cncn2)n1
InChIInChI=1S/C8H9N5O/c1-6-10-2-7(3-14)8(12-6)13-5-9-4-11-13/h2,4-5,14H,3H2,1H3
InChIKeyBBCJRVVTXBCDSF-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.14
Rot. Bonds2

About [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol

[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol (PubChem CID 130484667) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol
PubChem CID130484667
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(-n2cncn2)n1
InChIInChI=1S/C8H9N5O/c1-6-10-2-7(3-14)8(12-6)13-5-9-4-11-13/h2,4-5,14H,3H2,1H3
InChIKeyBBCJRVVTXBCDSF-UHFFFAOYSA-N
XLogP-0.14
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol (CID 130484667) is [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol is Cc1ncc(CO)c(-n2cncn2)n1.
What is the InChIKey of [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol?
The InChIKey is BBCJRVVTXBCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-6-10-2-7(3-14)8(12-6)13-5-9-4-11-13/h2,4-5,14H,3H2,1H3.
What are the key properties of [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol?
[2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol has a molecular weight of 191.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 130484667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).