2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C10H8N6O — CID 135899195

IUPAC2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cn2cncn2)nc2ncccc12
InChIInChI=1S/C10H8N6O/c17-10-7-2-1-3-12-9(7)14-8(15-10)4-16-6-11-5-13-16/h1-3,5-6H,4H2,(H,12,14,15,17)
InChIKeyCLNVWMCWFQTASS-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.04
Rot. Bonds2

About 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899195) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899195
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cn2cncn2)nc2ncccc12
InChIInChI=1S/C10H8N6O/c17-10-7-2-1-3-12-9(7)14-8(15-10)4-16-6-11-5-13-16/h1-3,5-6H,4H2,(H,12,14,15,17)
InChIKeyCLNVWMCWFQTASS-UHFFFAOYSA-N
XLogP-0.04
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899195) is 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(Cn2cncn2)nc2ncccc12.
What is the InChIKey of 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CLNVWMCWFQTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c17-10-7-2-1-3-12-9(7)14-8(15-10)4-16-6-11-5-13-16/h1-3,5-6H,4H2,(H,12,14,15,17).
What are the key properties of 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 228.22 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).