6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine

C8H11N3 — CID 66579718

IUPAC6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine
SMILESC1=CC2=C(CNCC2)N=NC1
InChIInChI=1S/C8H11N3/c1-2-7-3-5-9-6-8(7)11-10-4-1/h1-2,9H,3-6H2
InChIKeyTUNUNGNDKLEYER-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.26
Rot. Bonds

About 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine

6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine (PubChem CID 66579718) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine
PubChem CID66579718
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine
SMILESC1=CC2=C(CNCC2)N=NC1
InChIInChI=1S/C8H11N3/c1-2-7-3-5-9-6-8(7)11-10-4-1/h1-2,9H,3-6H2
InChIKeyTUNUNGNDKLEYER-UHFFFAOYSA-N
XLogP1.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine?
The IUPAC name of 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine (CID 66579718) is 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine?
The canonical SMILES for 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine is C1=CC2=C(CNCC2)N=NC1.
What is the InChIKey of 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine?
The InChIKey is TUNUNGNDKLEYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-7-3-5-9-6-8(7)11-10-4-1/h1-2,9H,3-6H2.
What are the key properties of 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine?
6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine has a molecular weight of 149.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-3H-pyrido[3,4-c]diazepine is sourced from PubChem (CID 66579718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).