3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile

C14H16N6 — CID 80904992

IUPAC3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1nc(NN)nc2ccccc12)C1CC1
InChIInChI=1S/C14H16N6/c15-8-3-9-20(10-6-7-10)13-11-4-1-2-5-12(11)17-14(18-13)19-16/h1-2,4-5,10H,3,6-7,9,16H2,(H,17,18,19)
InChIKeySOLAPNMJSPKORB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.80
Rot. Bonds5

About 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile

3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile (PubChem CID 80904992) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile
PubChem CID80904992
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1nc(NN)nc2ccccc12)C1CC1
InChIInChI=1S/C14H16N6/c15-8-3-9-20(10-6-7-10)13-11-4-1-2-5-12(11)17-14(18-13)19-16/h1-2,4-5,10H,3,6-7,9,16H2,(H,17,18,19)
InChIKeySOLAPNMJSPKORB-UHFFFAOYSA-N
XLogP1.80
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-[2-(ethylamino)quinazolin-4-yl]amino]propanenitrile
CID 80787496
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126
3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
CID 54997270
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80905482
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
CID 80894334
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80944435
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile (CID 80904992) is 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile is N#CCCN(c1nc(NN)nc2ccccc12)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile?
The InChIKey is SOLAPNMJSPKORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c15-8-3-9-20(10-6-7-10)13-11-4-1-2-5-12(11)17-14(18-13)19-16/h1-2,4-5,10H,3,6-7,9,16H2,(H,17,18,19).
What are the key properties of 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile?
3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile has a molecular weight of 268.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-hydrazinylquinazolin-4-yl)amino]propanenitrile is sourced from PubChem (CID 80904992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).