(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

C16H16ClN5 — CID 21492835

IUPAC(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESCCC1N=C(c2ccccn2)c2cc(Cl)ccc2N=C1NN
InChIInChI=1S/C16H16ClN5/c1-2-12-16(22-18)21-13-7-6-10(17)9-11(13)15(20-12)14-5-3-4-8-19-14/h3-9,12H,2,18H2,1H3,(H,21,22)
InChIKeyRHTAQCLAIQTAGV-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.86
Rot. Bonds2

About (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine

(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (PubChem CID 21492835) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.

Molecular Properties

Compound Name(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
PubChem CID21492835
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine
SMILESCCC1N=C(c2ccccn2)c2cc(Cl)ccc2N=C1NN
InChIInChI=1S/C16H16ClN5/c1-2-12-16(22-18)21-13-7-6-10(17)9-11(13)15(20-12)14-5-3-4-8-19-14/h3-9,12H,2,18H2,1H3,(H,21,22)
InChIKeyRHTAQCLAIQTAGV-UHFFFAOYSA-N
XLogP2.86
TPSA75.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The IUPAC name of (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine (CID 21492835) is (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine.
What is the SMILES notation for (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The canonical SMILES for (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is CCC1N=C(c2ccccn2)c2cc(Cl)ccc2N=C1NN.
What is the InChIKey of (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
The InChIKey is RHTAQCLAIQTAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-2-12-16(22-18)21-13-7-6-10(17)9-11(13)15(20-12)14-5-3-4-8-19-14/h3-9,12H,2,18H2,1H3,(H,21,22).
What are the key properties of (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine?
(7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine has a molecular weight of 313.79 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-ethyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazine is sourced from PubChem (CID 21492835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).