[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol

C10H13N5O — CID 83184297

IUPAC[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(C)n(-c2ncc(CO)c(C)n2)n1
InChIInChI=1S/C10H13N5O/c1-6-9(5-16)4-11-10(12-6)15-8(3)13-7(2)14-15/h4,16H,5H2,1-3H3
InChIKeyRKGNISOZFHCTHJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.47
Rot. Bonds2

About [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol

[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol (PubChem CID 83184297) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol
PubChem CID83184297
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(C)n(-c2ncc(CO)c(C)n2)n1
InChIInChI=1S/C10H13N5O/c1-6-9(5-16)4-11-10(12-6)15-8(3)13-7(2)14-15/h4,16H,5H2,1-3H3
InChIKeyRKGNISOZFHCTHJ-UHFFFAOYSA-N
XLogP0.47
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol (CID 83184297) is [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol is Cc1nc(C)n(-c2ncc(CO)c(C)n2)n1.
What is the InChIKey of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
The InChIKey is RKGNISOZFHCTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-9(5-16)4-11-10(12-6)15-8(3)13-7(2)14-15/h4,16H,5H2,1-3H3.
What are the key properties of [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol?
[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol has a molecular weight of 219.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 83184297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).