(1Z,6Z)-diazocine-3-carbonitrile

C7H5N3 — CID 173358993

IUPAC(1Z,6Z)-diazocine-3-carbonitrile
SMILESN#CC1=N/N=C\C=C/C=C1
InChIInChI=1S/C7H5N3/c8-6-7-4-2-1-3-5-9-10-7/h1-5H/b2-1?,3-1-,4-2?,5-3-,7-4?,9-5-,10-7?,10-9?
InChIKeyJIJKLXWMXMUACK-JXZZAMCJSA-N
MW131.14 g/mol
LogP1.06
Rot. Bonds

About (1Z,6Z)-diazocine-3-carbonitrile

(1Z,6Z)-diazocine-3-carbonitrile (PubChem CID 173358993) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is (1Z,6Z)-diazocine-3-carbonitrile.

Molecular Properties

Compound Name(1Z,6Z)-diazocine-3-carbonitrile
PubChem CID173358993
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name(1Z,6Z)-diazocine-3-carbonitrile
SMILESN#CC1=N/N=C\C=C/C=C1
InChIInChI=1S/C7H5N3/c8-6-7-4-2-1-3-5-9-10-7/h1-5H/b2-1?,3-1-,4-2?,5-3-,7-4?,9-5-,10-7?,10-9?
InChIKeyJIJKLXWMXMUACK-JXZZAMCJSA-N
XLogP1.06
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z,6Z)-diazocine-3-carbonitrile?
The IUPAC name of (1Z,6Z)-diazocine-3-carbonitrile (CID 173358993) is (1Z,6Z)-diazocine-3-carbonitrile.
What is the SMILES notation for (1Z,6Z)-diazocine-3-carbonitrile?
The canonical SMILES for (1Z,6Z)-diazocine-3-carbonitrile is N#CC1=N/N=C\C=C/C=C1.
What is the InChIKey of (1Z,6Z)-diazocine-3-carbonitrile?
The InChIKey is JIJKLXWMXMUACK-JXZZAMCJSA-N. The full InChI is InChI=1S/C7H5N3/c8-6-7-4-2-1-3-5-9-10-7/h1-5H/b2-1?,3-1-,4-2?,5-3-,7-4?,9-5-,10-7?,10-9?.
What are the key properties of (1Z,6Z)-diazocine-3-carbonitrile?
(1Z,6Z)-diazocine-3-carbonitrile has a molecular weight of 131.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6Z)-diazocine-3-carbonitrile is sourced from PubChem (CID 173358993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).