4-ethyl-3,4-dihydrodiazete-3-carbonitrile

C5H7N3 — CID 21403145

IUPAC4-ethyl-3,4-dihydrodiazete-3-carbonitrile
SMILESCCC1N=NC1C#N
InChIInChI=1S/C5H7N3/c1-2-4-5(3-6)8-7-4/h4-5H,2H2,1H3
InChIKeyUIPMEUDDDMQMJW-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.12
Rot. Bonds1

About 4-ethyl-3,4-dihydrodiazete-3-carbonitrile

4-ethyl-3,4-dihydrodiazete-3-carbonitrile (PubChem CID 21403145) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-ethyl-3,4-dihydrodiazete-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-3,4-dihydrodiazete-3-carbonitrile
PubChem CID21403145
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name4-ethyl-3,4-dihydrodiazete-3-carbonitrile
SMILESCCC1N=NC1C#N
InChIInChI=1S/C5H7N3/c1-2-4-5(3-6)8-7-4/h4-5H,2H2,1H3
InChIKeyUIPMEUDDDMQMJW-UHFFFAOYSA-N
XLogP1.12
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-3,4-dihydrodiazete-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dihydrodiazete-3-carbonitrile?
The IUPAC name of 4-ethyl-3,4-dihydrodiazete-3-carbonitrile (CID 21403145) is 4-ethyl-3,4-dihydrodiazete-3-carbonitrile.
What is the SMILES notation for 4-ethyl-3,4-dihydrodiazete-3-carbonitrile?
The canonical SMILES for 4-ethyl-3,4-dihydrodiazete-3-carbonitrile is CCC1N=NC1C#N.
What is the InChIKey of 4-ethyl-3,4-dihydrodiazete-3-carbonitrile?
The InChIKey is UIPMEUDDDMQMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-4-5(3-6)8-7-4/h4-5H,2H2,1H3.
What are the key properties of 4-ethyl-3,4-dihydrodiazete-3-carbonitrile?
4-ethyl-3,4-dihydrodiazete-3-carbonitrile has a molecular weight of 109.13 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dihydrodiazete-3-carbonitrile is sourced from PubChem (CID 21403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).