2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

C14H18N6 — CID 39826163

IUPAC2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCn1cnnc1CCNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H18N6/c1-4-20-9-17-19-13(20)5-6-16-14-12(8-15)10(2)7-11(3)18-14/h7,9H,4-6H2,1-3H3,(H,16,18)
InChIKeyCIUVIKSWOHEXFK-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 39826163) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID39826163
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCn1cnnc1CCNc1nc(C)cc(C)c1C#N
InChIInChI=1S/C14H18N6/c1-4-20-9-17-19-13(20)5-6-16-14-12(8-15)10(2)7-11(3)18-14/h7,9H,4-6H2,1-3H3,(H,16,18)
InChIKeyCIUVIKSWOHEXFK-UHFFFAOYSA-N
XLogP1.84
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 39826163) is 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is CCn1cnnc1CCNc1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is CIUVIKSWOHEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-20-9-17-19-13(20)5-6-16-14-12(8-15)10(2)7-11(3)18-14/h7,9H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 39826163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).