6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile

C13H16N6 — CID 166307055

IUPAC6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(C)c1n[nH]c(CCNc2ccc(C#N)cn2)n1
InChIInChI=1S/C13H16N6/c1-9(2)13-17-12(18-19-13)5-6-15-11-4-3-10(7-14)8-16-11/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyJYGTWHHIVRCEBS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.85
Rot. Bonds5

About 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile

6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 166307055) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID166307055
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(C)c1n[nH]c(CCNc2ccc(C#N)cn2)n1
InChIInChI=1S/C13H16N6/c1-9(2)13-17-12(18-19-13)5-6-15-11-4-3-10(7-14)8-16-11/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyJYGTWHHIVRCEBS-UHFFFAOYSA-N
XLogP1.85
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(E)-pent-3-enyl]amino]pyridine-3-carbonitrile
CID 115628479
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
3-fluoro-N-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 53264398
6-[2-[(3-methyl-2-oxobutyl)amino]ethylamino]pyridine-3-carbonitrile
CID 70343808
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 71983549
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133325986
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-(3-ethoxypropylamino)pyridine-3-carbonitrile
CID 24692457
6-[(2-amino-3-hydroxybutyl)amino]pyridine-3-carbonitrile
CID 64541282

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile (CID 166307055) is 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile is CC(C)c1n[nH]c(CCNc2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is JYGTWHHIVRCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-9(2)13-17-12(18-19-13)5-6-15-11-4-3-10(7-14)8-16-11/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 166307055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).