[1,4]diazepino[2,1-g][1,7]naphthyridine

C12H9N3 — CID 19067743

IUPAC[1,4]diazepino[2,1-g][1,7]naphthyridine
SMILESC1=CN2C=c3ncccc3=CC2=CN=C1
InChIInChI=1S/C12H9N3/c1-3-10-7-11-8-13-4-2-6-15(11)9-12(10)14-5-1/h1-9H
InChIKeyZTJXPCKPYPAKNT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds

About [1,4]diazepino[2,1-g][1,7]naphthyridine

[1,4]diazepino[2,1-g][1,7]naphthyridine (PubChem CID 19067743) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is [1,4]diazepino[2,1-g][1,7]naphthyridine.

Molecular Properties

Compound Name[1,4]diazepino[2,1-g][1,7]naphthyridine
PubChem CID19067743
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name[1,4]diazepino[2,1-g][1,7]naphthyridine
SMILESC1=CN2C=c3ncccc3=CC2=CN=C1
InChIInChI=1S/C12H9N3/c1-3-10-7-11-8-13-4-2-6-15(11)9-12(10)14-5-1/h1-9H
InChIKeyZTJXPCKPYPAKNT-UHFFFAOYSA-N
XLogP0.36
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Pyrazino[1,2-b]isoquinoline
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Pyrido[3,2-c]azepine
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Pyrrolo[1,2-d][1,4]benzodiazepine
CID 129876712
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
7aH-pyrazino[2,1-a]isoquinoline
CID 90945867
7H-pyrazino[1,2-b]isoquinoline
CID 91176376
9H-pyrimido[1,2-a]quinoline
CID 91449658
1-Methylpyrrolo[3,4-h]quinoline
CID 129781803
3h-Pyrrolo[2,3-h]quinoline
CID 129782205

Frequently Asked Questions

What is the IUPAC name of [1,4]diazepino[2,1-g][1,7]naphthyridine?
The IUPAC name of [1,4]diazepino[2,1-g][1,7]naphthyridine (CID 19067743) is [1,4]diazepino[2,1-g][1,7]naphthyridine.
What is the SMILES notation for [1,4]diazepino[2,1-g][1,7]naphthyridine?
The canonical SMILES for [1,4]diazepino[2,1-g][1,7]naphthyridine is C1=CN2C=c3ncccc3=CC2=CN=C1.
What is the InChIKey of [1,4]diazepino[2,1-g][1,7]naphthyridine?
The InChIKey is ZTJXPCKPYPAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-3-10-7-11-8-13-4-2-6-15(11)9-12(10)14-5-1/h1-9H.
What are the key properties of [1,4]diazepino[2,1-g][1,7]naphthyridine?
[1,4]diazepino[2,1-g][1,7]naphthyridine has a molecular weight of 195.22 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]diazepino[2,1-g][1,7]naphthyridine is sourced from PubChem (CID 19067743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).