2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C13H14N6 — CID 106282983

IUPAC2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(Nc1nc2c(cc1C#N)CCC2)c1ncn[nH]1
InChIInChI=1S/C13H14N6/c1-8(12-15-7-16-19-12)17-13-10(6-14)5-9-3-2-4-11(9)18-13/h5,7-8H,2-4H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyNUYHDTNWPKGXQT-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 106282983) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID106282983
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(Nc1nc2c(cc1C#N)CCC2)c1ncn[nH]1
InChIInChI=1S/C13H14N6/c1-8(12-15-7-16-19-12)17-13-10(6-14)5-9-3-2-4-11(9)18-13/h5,7-8H,2-4H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyNUYHDTNWPKGXQT-UHFFFAOYSA-N
XLogP1.73
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968845
2-[1-(4-chlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981704
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63889340
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-(hex-1-yn-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106230839
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
CID 82845367
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65043382
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
CID 115585626

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 106282983) is 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(Nc1nc2c(cc1C#N)CCC2)c1ncn[nH]1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NUYHDTNWPKGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8(12-15-7-16-19-12)17-13-10(6-14)5-9-3-2-4-11(9)18-13/h5,7-8H,2-4H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 106282983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).