2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C12H15N5O — CID 135943659

IUPAC2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C12H15N5O/c1-8-15-11-2-3-17(6-9-4-13-14-5-9)7-10(11)12(18)16-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)(H,15,16,18)
InChIKeyABQQDUAZCPIYQW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.36
Rot. Bonds2

About 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943659) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943659
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C12H15N5O/c1-8-15-11-2-3-17(6-9-4-13-14-5-9)7-10(11)12(18)16-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)(H,15,16,18)
InChIKeyABQQDUAZCPIYQW-UHFFFAOYSA-N
XLogP0.36
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943659) is 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1)CC2.
What is the InChIKey of 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ABQQDUAZCPIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-15-11-2-3-17(6-9-4-13-14-5-9)7-10(11)12(18)16-8/h4-5H,2-3,6-7H2,1H3,(H,13,14)(H,15,16,18).
What are the key properties of 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 245.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1H-pyrazol-4-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).