3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine

C11H14N4 — CID 114289848

IUPAC3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
SMILESCCCc1n[nH]c(Cc2cccnc2)n1
InChIInChI=1S/C11H14N4/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,14,15)
InChIKeyOUICBOXSZIQWKU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.74
Rot. Bonds4

About 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine

3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine (PubChem CID 114289848) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
PubChem CID114289848
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
SMILESCCCc1n[nH]c(Cc2cccnc2)n1
InChIInChI=1S/C11H14N4/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,14,15)
InChIKeyOUICBOXSZIQWKU-UHFFFAOYSA-N
XLogP1.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylphenyl)methyl]-3-propyl-1H-1,2,4-triazole
CID 61337312
3-(2-phenylethyl)-5-propyl-1H-1,2,4-triazole
CID 61337716
3-propyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 61336540
2-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62536890
N-methyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737132
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-ethyl-2-propyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737131
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798267
3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
CID 18700646
3-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]propan-1-amine
CID 62951893
1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793886

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The IUPAC name of 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine (CID 114289848) is 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine.
What is the SMILES notation for 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The canonical SMILES for 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine is CCCc1n[nH]c(Cc2cccnc2)n1.
What is the InChIKey of 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The InChIKey is OUICBOXSZIQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-4-10-13-11(15-14-10)7-9-5-3-6-12-8-9/h3,5-6,8H,2,4,7H2,1H3,(H,13,14,15).
What are the key properties of 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propyl-1H-1,2,4-triazol-5-yl)methyl]pyridine is sourced from PubChem (CID 114289848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).