2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile

C6H10N4 — CID 69382957

IUPAC2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile
SMILESCCN1N=CN(C)C1C#N
InChIInChI=1S/C6H10N4/c1-3-10-6(4-7)9(2)5-8-10/h5-6H,3H2,1-2H3
InChIKeyMXTDANKQHAHXGL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.05
Rot. Bonds1

About 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile

2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile (PubChem CID 69382957) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile
PubChem CID69382957
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile
SMILESCCN1N=CN(C)C1C#N
InChIInChI=1S/C6H10N4/c1-3-10-6(4-7)9(2)5-8-10/h5-6H,3H2,1-2H3
InChIKeyMXTDANKQHAHXGL-UHFFFAOYSA-N
XLogP0.05
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile (CID 69382957) is 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile is CCN1N=CN(C)C1C#N.
What is the InChIKey of 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile?
The InChIKey is MXTDANKQHAHXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-3-10-6(4-7)9(2)5-8-10/h5-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile?
2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-3H-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 69382957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).