(5Z)-2,7-dihydroazocine-5,6-diamine

C7H11N3 — CID 131972374

IUPAC(5Z)-2,7-dihydroazocine-5,6-diamine
SMILESN/C1=C(\N)C/C=N\CC=C1
InChIInChI=1S/C7H11N3/c8-6-2-1-4-10-5-3-7(6)9/h1-2,5H,3-4,8-9H2/b2-1?,7-6-,10-5-
InChIKeyGBYSYCHYUBNZKR-KTCYNGDSSA-N
MW137.19 g/mol
LogP0.15
Rot. Bonds

About (5Z)-2,7-dihydroazocine-5,6-diamine

(5Z)-2,7-dihydroazocine-5,6-diamine (PubChem CID 131972374) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (5Z)-2,7-dihydroazocine-5,6-diamine.

Molecular Properties

Compound Name(5Z)-2,7-dihydroazocine-5,6-diamine
PubChem CID131972374
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(5Z)-2,7-dihydroazocine-5,6-diamine
SMILESN/C1=C(\N)C/C=N\CC=C1
InChIInChI=1S/C7H11N3/c8-6-2-1-4-10-5-3-7(6)9/h1-2,5H,3-4,8-9H2/b2-1?,7-6-,10-5-
InChIKeyGBYSYCHYUBNZKR-KTCYNGDSSA-N
XLogP0.15
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2,7-dihydroazocine-5,6-diamine?
The IUPAC name of (5Z)-2,7-dihydroazocine-5,6-diamine (CID 131972374) is (5Z)-2,7-dihydroazocine-5,6-diamine.
What is the SMILES notation for (5Z)-2,7-dihydroazocine-5,6-diamine?
The canonical SMILES for (5Z)-2,7-dihydroazocine-5,6-diamine is N/C1=C(\N)C/C=N\CC=C1.
What is the InChIKey of (5Z)-2,7-dihydroazocine-5,6-diamine?
The InChIKey is GBYSYCHYUBNZKR-KTCYNGDSSA-N. The full InChI is InChI=1S/C7H11N3/c8-6-2-1-4-10-5-3-7(6)9/h1-2,5H,3-4,8-9H2/b2-1?,7-6-,10-5-.
What are the key properties of (5Z)-2,7-dihydroazocine-5,6-diamine?
(5Z)-2,7-dihydroazocine-5,6-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,7-dihydroazocine-5,6-diamine is sourced from PubChem (CID 131972374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).