N-butan-2-yl-2-hydrazinylquinazolin-4-amine

C12H17N5 — CID 80932741

IUPACN-butan-2-yl-2-hydrazinylquinazolin-4-amine
SMILESCCC(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5/c1-3-8(2)14-11-9-6-4-5-7-10(9)15-12(16-11)17-13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOQLKSVIFIMBJDI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds4

About N-butan-2-yl-2-hydrazinylquinazolin-4-amine

N-butan-2-yl-2-hydrazinylquinazolin-4-amine (PubChem CID 80932741) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-butan-2-yl-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-hydrazinylquinazolin-4-amine
PubChem CID80932741
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-butan-2-yl-2-hydrazinylquinazolin-4-amine
SMILESCCC(C)Nc1nc(NN)nc2ccccc12
InChIInChI=1S/C12H17N5/c1-3-8(2)14-11-9-6-4-5-7-10(9)15-12(16-11)17-13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyOQLKSVIFIMBJDI-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-N,1-N-diethyl-2-N-(2-hydrazinylquinazolin-4-yl)propane-1,2-diamine
CID 80902005
N-(1-ethoxypropan-2-yl)-2-hydrazinylquinazolin-4-amine
CID 80902618
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)quinazolin-4-amine
CID 80915950
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
2-N-ethyl-4-N-(4-methylhexan-2-yl)quinazoline-2,4-diamine
CID 80829920
2-N,4-N-bis(1-phenylpropan-2-yl)quinazoline-2,4-diamine
CID 19939147
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-butan-2-yl-2-hydrazinylquinazolin-4-amine (CID 80932741) is N-butan-2-yl-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-butan-2-yl-2-hydrazinylquinazolin-4-amine is CCC(C)Nc1nc(NN)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-hydrazinylquinazolin-4-amine?
The InChIKey is OQLKSVIFIMBJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-8(2)14-11-9-6-4-5-7-10(9)15-12(16-11)17-13/h4-8H,3,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of N-butan-2-yl-2-hydrazinylquinazolin-4-amine?
N-butan-2-yl-2-hydrazinylquinazolin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80932741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).