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

C8H7N3 — CID 57124109

IUPAC1H-pyrido[3,2-e][1,4]diazepine
SMILESC1=CNc2cccnc2C=N1
InChIInChI=1S/C8H7N3/c1-2-7-8(10-3-1)6-9-4-5-11-7/h1-6,11H
InChIKeyPVLMWYLLNNCFEO-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.40
Rot. Bonds

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

1H-pyrido[3,2-e][1,4]diazepine (PubChem CID 57124109) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1H-pyrido[3,2-e][1,4]diazepine.

Molecular Properties

Compound Name1H-pyrido[3,2-e][1,4]diazepine
PubChem CID57124109
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name1H-pyrido[3,2-e][1,4]diazepine
SMILESC1=CNc2cccnc2C=N1
InChIInChI=1S/C8H7N3/c1-2-7-8(10-3-1)6-9-4-5-11-7/h1-6,11H
InChIKeyPVLMWYLLNNCFEO-UHFFFAOYSA-N
XLogP1.40
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,4-benzodiazepine;trihydrochloride
CID 172746749
1H-1,4-benzodiazepine;phosphoric acid
CID 174831998
5H-pyrido[2,3-c]azepine;dihydrochloride
CID 170312434
1H-1,4-benzodiazepin-7-ol
CID 174660339
11H-pyrido[3,2-b][1]benzazepine
CID 69308854
7H-pyrido[2,3-d]azepine;dihydrochloride
CID 158778136
1,5-dihydropyrido[2,3-b][1,4]diazepin-4-one
CID 22051603
7H-pyrido[2,3-g][1]benzazepine
CID 88839999
(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
CID 91868291
3,8-diazabicyclo[5.4.0]undeca-1(7),2,4,5,8,10-hexaene;propane
CID 143498615
ethane;3-methyl-2,3-dihydro-1H-pyrazolo[4,3-b]pyridine
CID 145249796
1,4-dihydropyrido[3,2-d]pyrimidin-4-ylazanide
CID 163917603

Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[3,2-e][1,4]diazepine?
The IUPAC name of 1H-pyrido[3,2-e][1,4]diazepine (CID 57124109) is 1H-pyrido[3,2-e][1,4]diazepine.
What is the SMILES notation for 1H-pyrido[3,2-e][1,4]diazepine?
The canonical SMILES for 1H-pyrido[3,2-e][1,4]diazepine is C1=CNc2cccnc2C=N1.
What is the InChIKey of 1H-pyrido[3,2-e][1,4]diazepine?
The InChIKey is PVLMWYLLNNCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-7-8(10-3-1)6-9-4-5-11-7/h1-6,11H.
What are the key properties of 1H-pyrido[3,2-e][1,4]diazepine?
1H-pyrido[3,2-e][1,4]diazepine has a molecular weight of 145.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[3,2-e][1,4]diazepine is sourced from PubChem (CID 57124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).