1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H15N5O — CID 137190960

IUPAC1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3(C)CC=CC3)nc21
InChIInChI=1S/C12H15N5O/c1-12(5-3-4-6-12)16-11-14-9-8(10(18)15-11)7-13-17(9)2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16,18)
InChIKeySCUDTFWBJQTPTD-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.18
Rot. Bonds2

About 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137190960) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137190960
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3(C)CC=CC3)nc21
InChIInChI=1S/C12H15N5O/c1-12(5-3-4-6-12)16-11-14-9-8(10(18)15-11)7-13-17(9)2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16,18)
InChIKeySCUDTFWBJQTPTD-UHFFFAOYSA-N
XLogP1.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137190960) is 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(NC3(C)CC=CC3)nc21.
What is the InChIKey of 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SCUDTFWBJQTPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-12(5-3-4-6-12)16-11-14-9-8(10(18)15-11)7-13-17(9)2/h3-4,7H,5-6H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 245.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(1-methylcyclopent-3-en-1-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137190960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).