5H-pyrido[3,2-d][1,2,3]benzotriazepine

C11H8N4 — CID 138376835

IUPAC5H-pyrido[3,2-d][1,2,3]benzotriazepine
SMILESc1ccc2c(c1)N=NNc1cccnc1-2
InChIInChI=1S/C11H8N4/c1-2-5-9-8(4-1)11-10(14-15-13-9)6-3-7-12-11/h1-7H,(H,13,14)
InChIKeyQJQBEFDBDBWYHZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.17
Rot. Bonds

About 5H-pyrido[3,2-d][1,2,3]benzotriazepine

5H-pyrido[3,2-d][1,2,3]benzotriazepine (PubChem CID 138376835) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5H-pyrido[3,2-d][1,2,3]benzotriazepine.

Molecular Properties

Compound Name5H-pyrido[3,2-d][1,2,3]benzotriazepine
PubChem CID138376835
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name5H-pyrido[3,2-d][1,2,3]benzotriazepine
SMILESc1ccc2c(c1)N=NNc1cccnc1-2
InChIInChI=1S/C11H8N4/c1-2-5-9-8(4-1)11-10(14-15-13-9)6-3-7-12-11/h1-7H,(H,13,14)
InChIKeyQJQBEFDBDBWYHZ-UHFFFAOYSA-N
XLogP3.17
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrido[3,2-d][1,2,3]benzotriazepine?
The IUPAC name of 5H-pyrido[3,2-d][1,2,3]benzotriazepine (CID 138376835) is 5H-pyrido[3,2-d][1,2,3]benzotriazepine.
What is the SMILES notation for 5H-pyrido[3,2-d][1,2,3]benzotriazepine?
The canonical SMILES for 5H-pyrido[3,2-d][1,2,3]benzotriazepine is c1ccc2c(c1)N=NNc1cccnc1-2.
What is the InChIKey of 5H-pyrido[3,2-d][1,2,3]benzotriazepine?
The InChIKey is QJQBEFDBDBWYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-5-9-8(4-1)11-10(14-15-13-9)6-3-7-12-11/h1-7H,(H,13,14).
What are the key properties of 5H-pyrido[3,2-d][1,2,3]benzotriazepine?
5H-pyrido[3,2-d][1,2,3]benzotriazepine has a molecular weight of 196.21 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrido[3,2-d][1,2,3]benzotriazepine is sourced from PubChem (CID 138376835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).