1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine

C9H11N5 — CID 60910683

IUPAC1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCc2ccccn2)n1
InChIInChI=1S/C9H11N5/c10-9-12-7-14(13-9)6-4-8-3-1-2-5-11-8/h1-3,5,7H,4,6H2,(H2,10,13)
InChIKeyRXKDYVZJJUUTNR-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.50
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine

1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine (PubChem CID 60910683) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
PubChem CID60910683
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(CCc2ccccn2)n1
InChIInChI=1S/C9H11N5/c10-9-12-7-14(13-9)6-4-8-3-1-2-5-11-8/h1-3,5,7H,4,6H2,(H2,10,13)
InChIKeyRXKDYVZJJUUTNR-UHFFFAOYSA-N
XLogP0.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
CID 130834125
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-amino-N-[[1-(2-pyridin-2-ylethyl)triazol-4-yl]methyl]acetamide
CID 114778652
2-[2-(2H-pyridin-1-yl)ethyl]pyridine
CID 70473829
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methanamine
CID 62949782
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine
CID 47350151
5-amino-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63801481

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine (CID 60910683) is 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine is Nc1ncn(CCc2ccccn2)n1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine?
The InChIKey is RXKDYVZJJUUTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-9-12-7-14(13-9)6-4-8-3-1-2-5-11-8/h1-3,5,7H,4,6H2,(H2,10,13).
What are the key properties of 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine?
1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 60910683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).