2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine

C16H19N5 — CID 699793

IUPAC2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
SMILESNNc1nc(N)c2c(n1)-c1ccccc1CC21CCCC1
InChIInChI=1S/C16H19N5/c17-14-12-13(19-15(20-14)21-18)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9,18H2,(H3,17,19,20,21)
InChIKeyHETNULADYNEXJW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.38
Rot. Bonds1

About 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine

2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine (PubChem CID 699793) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
PubChem CID699793
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine
SMILESNNc1nc(N)c2c(n1)-c1ccccc1CC21CCCC1
InChIInChI=1S/C16H19N5/c17-14-12-13(19-15(20-14)21-18)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9,18H2,(H3,17,19,20,21)
InChIKeyHETNULADYNEXJW-UHFFFAOYSA-N
XLogP2.38
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The IUPAC name of 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine (CID 699793) is 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine.
What is the SMILES notation for 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The canonical SMILES for 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine is NNc1nc(N)c2c(n1)-c1ccccc1CC21CCCC1.
What is the InChIKey of 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
The InChIKey is HETNULADYNEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-14-12-13(19-15(20-14)21-18)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9,18H2,(H3,17,19,20,21).
What are the key properties of 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine?
2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-amine is sourced from PubChem (CID 699793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).