2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C11H13N5O — CID 136992334

IUPAC2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)n1
InChIInChI=1S/C11H13N5O/c1-16-5-3-8(15-16)10-13-9-6-12-4-2-7(9)11(17)14-10/h3,5,12H,2,4,6H2,1H3,(H,13,14,17)
InChIKeyLCOOGXDZAXDUBN-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.18
Rot. Bonds1

About 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136992334) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136992334
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)n1
InChIInChI=1S/C11H13N5O/c1-16-5-3-8(15-16)10-13-9-6-12-4-2-7(9)11(17)14-10/h3,5,12H,2,4,6H2,1H3,(H,13,14,17)
InChIKeyLCOOGXDZAXDUBN-UHFFFAOYSA-N
XLogP-0.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136992334) is 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is Cn1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LCOOGXDZAXDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-5-3-8(15-16)10-13-9-6-12-4-2-7(9)11(17)14-10/h3,5,12H,2,4,6H2,1H3,(H,13,14,17).
What are the key properties of 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 231.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136992334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).