2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile

C7H12N4 — CID 69388856

IUPAC2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile
SMILESCCN1C=NN(CC)C1C#N
InChIInChI=1S/C7H12N4/c1-3-10-6-9-11(4-2)7(10)5-8/h6-7H,3-4H2,1-2H3
InChIKeyKAMYZUUTFMGAOC-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.44
Rot. Bonds2

About 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile

2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile (PubChem CID 69388856) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile
PubChem CID69388856
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile
SMILESCCN1C=NN(CC)C1C#N
InChIInChI=1S/C7H12N4/c1-3-10-6-9-11(4-2)7(10)5-8/h6-7H,3-4H2,1-2H3
InChIKeyKAMYZUUTFMGAOC-UHFFFAOYSA-N
XLogP0.44
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-nitro-3H-1,2,4-triazole-3-carbonitrile
CID 69388041
2-propyl-4-(trifluoromethyl)-3H-1,2,4-triazole-3-carbonitrile
CID 69382653
2,4-diethyl-3-(1,1,2,2,2-pentafluoroethyl)-3H-1,2,4-triazole
CID 87805897
2-ethyl-3-(2-methylpropyl)-3H-1,2,4-triazole-4-carbonitrile
CID 87804786
2-ethyl-4-(2-methylpropyl)-3-propan-2-yl-3H-1,2,4-triazole
CID 69386554
2-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-3H-1,2,4-triazole-4-carbonitrile
CID 87804644
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
2-methyl-3H-1,2,4-triazole-3,4-dicarbonitrile
CID 87803793
3-chloro-2,4-dipropyl-3H-1,2,4-triazole
CID 69383310
4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
CID 69388585
3-ethyl-2-propyl-3H-1,2,4-triazole-4-carbonitrile
CID 87804185
2-propan-2-yl-3H-1,2,4-triazole-3,4-dicarbonitrile
CID 87805016

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile (CID 69388856) is 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile is CCN1C=NN(CC)C1C#N.
What is the InChIKey of 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile?
The InChIKey is KAMYZUUTFMGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-10-6-9-11(4-2)7(10)5-8/h6-7H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile?
2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile has a molecular weight of 152.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3H-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 69388856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).