[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol

C10H13N5O — CID 150643596

IUPAC[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol
SMILESCNc1cc(-c2nnc(CO)n2C)ccn1
InChIInChI=1S/C10H13N5O/c1-11-8-5-7(3-4-12-8)10-14-13-9(6-16)15(10)2/h3-5,16H,6H2,1-2H3,(H,11,12)
InChIKeyJAKKNYSLGJZSGU-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.41
Rot. Bonds3

About [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol

[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 150643596) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol
PubChem CID150643596
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol
SMILESCNc1cc(-c2nnc(CO)n2C)ccn1
InChIInChI=1S/C10H13N5O/c1-11-8-5-7(3-4-12-8)10-14-13-9(6-16)15(10)2/h3-5,16H,6H2,1-2H3,(H,11,12)
InChIKeyJAKKNYSLGJZSGU-UHFFFAOYSA-N
XLogP0.41
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol (CID 150643596) is [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol is CNc1cc(-c2nnc(CO)n2C)ccn1.
What is the InChIKey of [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is JAKKNYSLGJZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-8-5-7(3-4-12-8)10-14-13-9(6-16)15(10)2/h3-5,16H,6H2,1-2H3,(H,11,12).
What are the key properties of [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol?
[4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 219.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-(methylamino)-4-pyridinyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 150643596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).