8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione

C12H16N6O2 — CID 154640809

IUPAC8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
SMILESCn1c(=O)c(=O)n(C2CCCC2)c2nc(NN)ncc21
InChIInChI=1S/C12H16N6O2/c1-17-8-6-14-12(16-13)15-9(8)18(11(20)10(17)19)7-4-2-3-5-7/h6-7H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyXSKMAMLHHJPZPF-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.11
Rot. Bonds2

About 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione

8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione (PubChem CID 154640809) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione.

Molecular Properties

Compound Name8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
PubChem CID154640809
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
SMILESCn1c(=O)c(=O)n(C2CCCC2)c2nc(NN)ncc21
InChIInChI=1S/C12H16N6O2/c1-17-8-6-14-12(16-13)15-9(8)18(11(20)10(17)19)7-4-2-3-5-7/h6-7H,2-5,13H2,1H3,(H,14,15,16)
InChIKeyXSKMAMLHHJPZPF-UHFFFAOYSA-N
XLogP-0.11
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-cyclopentyl-5-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pteridine-6,7-dione
CID 154640810
2-[2-[(2-chloro-4-fluorophenyl)methylidene]hydrazinyl]-8-cyclopentyl-5-methylpteridine-6,7-dione
CID 154640813
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
8-(4,4-difluorocyclohexyl)-5-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]pteridine-6,7-dione
CID 164903227
8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 177341126
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
7-fluoro-1-methyl-4-piperidin-4-ylpyrido[2,3-b]pyrazine-2,3-dione;dihydrochloride
CID 169081128
6-amino-8-cyclopentyl-2-[(5-phenyl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 22329978
2,6-dicyclohexyl-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 163203344
8-cyclopentyl-7-oxo-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458571
5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 70952939

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione?
The IUPAC name of 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione (CID 154640809) is 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione.
What is the SMILES notation for 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione?
The canonical SMILES for 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione is Cn1c(=O)c(=O)n(C2CCCC2)c2nc(NN)ncc21.
What is the InChIKey of 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione?
The InChIKey is XSKMAMLHHJPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-17-8-6-14-12(16-13)15-9(8)18(11(20)10(17)19)7-4-2-3-5-7/h6-7H,2-5,13H2,1H3,(H,14,15,16).
What are the key properties of 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione?
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione has a molecular weight of 276.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione is sourced from PubChem (CID 154640809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).