6H-1,4-benzodiazepin-7-amine

C9H9N3 — CID 68513910

IUPAC6H-1,4-benzodiazepin-7-amine
SMILESNC1=CC=C2N=CC=NC=C2C1
InChIInChI=1S/C9H9N3/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-4,6H,5,10H2
InChIKeyOKNKVKVPRLRQAV-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.16
Rot. Bonds

About 6H-1,4-benzodiazepin-7-amine

6H-1,4-benzodiazepin-7-amine (PubChem CID 68513910) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 6H-1,4-benzodiazepin-7-amine.

Molecular Properties

Compound Name6H-1,4-benzodiazepin-7-amine
PubChem CID68513910
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name6H-1,4-benzodiazepin-7-amine
SMILESNC1=CC=C2N=CC=NC=C2C1
InChIInChI=1S/C9H9N3/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-4,6H,5,10H2
InChIKeyOKNKVKVPRLRQAV-UHFFFAOYSA-N
XLogP1.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-1,4-benzodiazepin-7-amine?
The IUPAC name of 6H-1,4-benzodiazepin-7-amine (CID 68513910) is 6H-1,4-benzodiazepin-7-amine.
What is the SMILES notation for 6H-1,4-benzodiazepin-7-amine?
The canonical SMILES for 6H-1,4-benzodiazepin-7-amine is NC1=CC=C2N=CC=NC=C2C1.
What is the InChIKey of 6H-1,4-benzodiazepin-7-amine?
The InChIKey is OKNKVKVPRLRQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-4,6H,5,10H2.
What are the key properties of 6H-1,4-benzodiazepin-7-amine?
6H-1,4-benzodiazepin-7-amine has a molecular weight of 159.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-1,4-benzodiazepin-7-amine is sourced from PubChem (CID 68513910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).