1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C14H20N6 — CID 102794233

IUPAC1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(CCc3ccccn3)n2)C1
InChIInChI=1S/C14H20N6/c15-11-4-3-9-20(10-11)14-17-13(18-19-14)7-6-12-5-1-2-8-16-12/h1-2,5,8,11H,3-4,6-7,9-10,15H2,(H,17,18,19)
InChIKeyURIXDMMOGVTJPC-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.91
Rot. Bonds4

About 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794233) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794233
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(CCc3ccccn3)n2)C1
InChIInChI=1S/C14H20N6/c15-11-4-3-9-20(10-11)14-17-13(18-19-14)7-6-12-5-1-2-8-16-12/h1-2,5,8,11H,3-4,6-7,9-10,15H2,(H,17,18,19)
InChIKeyURIXDMMOGVTJPC-UHFFFAOYSA-N
XLogP0.91
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797580
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796958
3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797272
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794329
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794393
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793046
4-[3-(3-aminopyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-1-ol
CID 102793313
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794233) is 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(CCc3ccccn3)n2)C1.
What is the InChIKey of 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is URIXDMMOGVTJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c15-11-4-3-9-20(10-11)14-17-13(18-19-14)7-6-12-5-1-2-8-16-12/h1-2,5,8,11H,3-4,6-7,9-10,15H2,(H,17,18,19).
What are the key properties of 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).