1-pyridin-2-yl-1,4-diazepane

C10H15N3 — CID 2772402

IUPAC1-pyridin-2-yl-1,4-diazepane
SMILESc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyYIVVBOYHOANILT-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.88
Rot. Bonds1

About 1-pyridin-2-yl-1,4-diazepane

1-pyridin-2-yl-1,4-diazepane (PubChem CID 2772402) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-pyridin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-pyridin-2-yl-1,4-diazepane
PubChem CID2772402
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-pyridin-2-yl-1,4-diazepane
SMILESc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKeyYIVVBOYHOANILT-UHFFFAOYSA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyridin-2-yl-1,4-diazepane with MolForge

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

Launch Full Analysis

Related Compounds

2-Aminopyridine
CID 10439
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
1-Pyridin-3-yl-1,4-diazepane
CID 10654891

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1,4-diazepane?
The IUPAC name of 1-pyridin-2-yl-1,4-diazepane (CID 2772402) is 1-pyridin-2-yl-1,4-diazepane.
What is the SMILES notation for 1-pyridin-2-yl-1,4-diazepane?
The canonical SMILES for 1-pyridin-2-yl-1,4-diazepane is c1ccc(N2CCCNCC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-1,4-diazepane?
The InChIKey is YIVVBOYHOANILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 1-pyridin-2-yl-1,4-diazepane?
1-pyridin-2-yl-1,4-diazepane has a molecular weight of 177.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-1,4-diazepane is sourced from PubChem (CID 2772402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).