3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

C15H15N7O — CID 137264065

IUPAC3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H15N7O/c16-8-10-12(21-22-13(10)17)6-3-7-18-15-19-11-5-2-1-4-9(11)14(23)20-15/h1-2,4-5H,3,6-7H2,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyBFILJCNHFIVFPZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile (PubChem CID 137264065) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
PubChem CID137264065
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H15N7O/c16-8-10-12(21-22-13(10)17)6-3-7-18-15-19-11-5-2-1-4-9(11)14(23)20-15/h1-2,4-5H,3,6-7H2,(H3,17,21,22)(H2,18,19,20,23)
InChIKeyBFILJCNHFIVFPZ-UHFFFAOYSA-N
XLogP1.14
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(propylamino)-3H-quinazolin-4-one
CID 135439661
1-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 26436461
2-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]pyridine-3-carbonitrile
CID 46817449
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
3-amino-5-[5-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile
CID 18095349
3-[3-(1H-benzimidazol-2-ylamino)propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137273620
3-amino-5-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 133436312
6-amino-2-(4,4,4-trifluorobutylamino)-3H-quinazolin-4-one
CID 136809200
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
CID 135604870

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile (CID 137264065) is 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1CCCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is BFILJCNHFIVFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c16-8-10-12(21-22-13(10)17)6-3-7-18-15-19-11-5-2-1-4-9(11)14(23)20-15/h1-2,4-5H,3,6-7H2,(H3,17,21,22)(H2,18,19,20,23).
What are the key properties of 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 137264065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).