3H-pyrido[2,3-b][1,4]diazepine

C8H7N3 — CID 54433684

IUPAC3H-pyrido[2,3-b][1,4]diazepine
SMILESC1=Nc2cccnc2N=CC1
InChIInChI=1S/C8H7N3/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1,3-6H,2H2
InChIKeyWJGLJJLHTXUTAL-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.89
Rot. Bonds

About 3H-pyrido[2,3-b][1,4]diazepine

3H-pyrido[2,3-b][1,4]diazepine (PubChem CID 54433684) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3H-pyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name3H-pyrido[2,3-b][1,4]diazepine
PubChem CID54433684
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name3H-pyrido[2,3-b][1,4]diazepine
SMILESC1=Nc2cccnc2N=CC1
InChIInChI=1S/C8H7N3/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1,3-6H,2H2
InChIKeyWJGLJJLHTXUTAL-UHFFFAOYSA-N
XLogP1.89
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3H-pyrrolo[2,3-b]pyridin-2-amine
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spiro[cyclobutane-1,3'-pyrrolo[3,2-b]pyridine]
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2-phenyl-3H-pyrrolo[2,3-b]pyridine
CID 77231538
2-(2,5-dihydropyrimidin-2-yl)pyrimidine
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11H-pyrido[3,2-c][2]benzazepine
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4-chloro-3H-pyrrolo[2,3-b]pyridine
CID 78357844
3-iodothieno[3,2-b]pyridine
CID 13220429
methane;propane;9H-pyrido[3,2-b]azepine
CID 143466256
iridium(3+);1,5-naphthyridine
CID 175728214
CID 140521688
CID 140521688
pyrido[2,3-b][1,4]thiazepine
CID 67942669

Frequently Asked Questions

What is the IUPAC name of 3H-pyrido[2,3-b][1,4]diazepine?
The IUPAC name of 3H-pyrido[2,3-b][1,4]diazepine (CID 54433684) is 3H-pyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 3H-pyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 3H-pyrido[2,3-b][1,4]diazepine is C1=Nc2cccnc2N=CC1.
What is the InChIKey of 3H-pyrido[2,3-b][1,4]diazepine?
The InChIKey is WJGLJJLHTXUTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-3-7-8(10-4-1)11-6-2-5-9-7/h1,3-6H,2H2.
What are the key properties of 3H-pyrido[2,3-b][1,4]diazepine?
3H-pyrido[2,3-b][1,4]diazepine has a molecular weight of 145.16 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 54433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).