(7Z)-5,6-dihydro-1,3-diazocin-4-amine

C6H9N3 — CID 123146474

IUPAC(7Z)-5,6-dihydro-1,3-diazocin-4-amine
SMILESN/C1=N/C=N\C=C/CC1
InChIInChI=1S/C6H9N3/c7-6-3-1-2-4-8-5-9-6/h2,4-5H,1,3H2,(H2,7,8,9)/b4-2-
InChIKeyPBROJRBFUYEZQU-RQOWECAXSA-N
MW123.16 g/mol
LogP0.68
Rot. Bonds

About (7Z)-5,6-dihydro-1,3-diazocin-4-amine

(7Z)-5,6-dihydro-1,3-diazocin-4-amine (PubChem CID 123146474) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (7Z)-5,6-dihydro-1,3-diazocin-4-amine.

Molecular Properties

Compound Name(7Z)-5,6-dihydro-1,3-diazocin-4-amine
PubChem CID123146474
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(7Z)-5,6-dihydro-1,3-diazocin-4-amine
SMILESN/C1=N/C=N\C=C/CC1
InChIInChI=1S/C6H9N3/c7-6-3-1-2-4-8-5-9-6/h2,4-5H,1,3H2,(H2,7,8,9)/b4-2-
InChIKeyPBROJRBFUYEZQU-RQOWECAXSA-N
XLogP0.68
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-5,6-dihydro-1,3-diazocin-4-amine?
The IUPAC name of (7Z)-5,6-dihydro-1,3-diazocin-4-amine (CID 123146474) is (7Z)-5,6-dihydro-1,3-diazocin-4-amine.
What is the SMILES notation for (7Z)-5,6-dihydro-1,3-diazocin-4-amine?
The canonical SMILES for (7Z)-5,6-dihydro-1,3-diazocin-4-amine is N/C1=N/C=N\C=C/CC1.
What is the InChIKey of (7Z)-5,6-dihydro-1,3-diazocin-4-amine?
The InChIKey is PBROJRBFUYEZQU-RQOWECAXSA-N. The full InChI is InChI=1S/C6H9N3/c7-6-3-1-2-4-8-5-9-6/h2,4-5H,1,3H2,(H2,7,8,9)/b4-2-.
What are the key properties of (7Z)-5,6-dihydro-1,3-diazocin-4-amine?
(7Z)-5,6-dihydro-1,3-diazocin-4-amine has a molecular weight of 123.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5,6-dihydro-1,3-diazocin-4-amine is sourced from PubChem (CID 123146474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).