5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine

C12H17N5 — CID 79542579

IUPAC5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
SMILESCCCc1c(N)nnn1CCc1cccnc1
InChIInChI=1S/C12H17N5/c1-2-4-11-12(13)15-16-17(11)8-6-10-5-3-7-14-9-10/h3,5,7,9H,2,4,6,8,13H2,1H3
InChIKeyAQUVTKVBGIJWLR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds5

About 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine

5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine (PubChem CID 79542579) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
PubChem CID79542579
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine
SMILESCCCc1c(N)nnn1CCc1cccnc1
InChIInChI=1S/C12H17N5/c1-2-4-11-12(13)15-16-17(11)8-6-10-5-3-7-14-9-10/h3,5,7,9H,2,4,6,8,13H2,1H3
InChIKeyAQUVTKVBGIJWLR-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-propyl-1-(2-pyridin-3-ylethyl)triazole-4-carboxylate
CID 103106221
5-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)triazole-4-carboxylic acid
CID 102645727
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
1-[2-(3-chlorophenoxy)ethyl]-5-propyltriazol-4-amine
CID 79542672
5-ethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]triazol-4-amine
CID 103019252
5-ethyl-1-propyltriazol-4-amine
CID 79542542
5-fluoro-3-methyl-2-propyl-1-(2-pyridin-3-ylethyl)indole
CID 71015998
5-amino-1-propyl-3-(2-pyridin-3-ylethyl)pyrimidine-2,4-dione
CID 63800812
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
1-pyridin-3-ylhexan-3-amine
CID 64506028
3-ethylpyridine
CID 10823
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine?
The IUPAC name of 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine (CID 79542579) is 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine.
What is the SMILES notation for 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine?
The canonical SMILES for 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine is CCCc1c(N)nnn1CCc1cccnc1.
What is the InChIKey of 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine?
The InChIKey is AQUVTKVBGIJWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-4-11-12(13)15-16-17(11)8-6-10-5-3-7-14-9-10/h3,5,7,9H,2,4,6,8,13H2,1H3.
What are the key properties of 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine?
5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-(2-pyridin-3-ylethyl)triazol-4-amine is sourced from PubChem (CID 79542579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).