2-(4-propyl-1,2,4-triazol-3-yl)pyridine

C10H12N4 — CID 115394967

IUPAC2-(4-propyl-1,2,4-triazol-3-yl)pyridine
SMILESCCCn1cnnc1-c1ccccn1
InChIInChI=1S/C10H12N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3
InChIKeyQTJJXKGMMIDYHV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-propyl-1,2,4-triazol-3-yl)pyridine

2-(4-propyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 115394967) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-propyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-propyl-1,2,4-triazol-3-yl)pyridine
PubChem CID115394967
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(4-propyl-1,2,4-triazol-3-yl)pyridine
SMILESCCCn1cnnc1-c1ccccn1
InChIInChI=1S/C10H12N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3
InChIKeyQTJJXKGMMIDYHV-UHFFFAOYSA-N
XLogP1.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)-4-propyl-1,2,4-triazole
CID 113301287
propane;2-pyridin-2-ylpyridine
CID 158168510
5-(4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62694495
2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine
CID 95719859
2-[1-[3-(tetrazol-1-yl)propyl]tetrazol-5-yl]pyridine
CID 102517127
3-chloro-2-(4-propyl-1,2,4-triazol-3-yl)aniline
CID 63724131
2-(5-methoxy-3-methyl-1-propylpyrazol-4-yl)pyridine
CID 170977985
3-(4-fluoro-3-methylphenyl)-4-propyl-1,2,4-triazole
CID 115395074
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62808225
2-[4-(1-deuteriopropyl)phenyl]pyridine
CID 163281838
3-(3-methyl-2-nitrophenyl)-4-propyl-1,2,4-triazole
CID 113301331

Frequently Asked Questions

What is the IUPAC name of 2-(4-propyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(4-propyl-1,2,4-triazol-3-yl)pyridine (CID 115394967) is 2-(4-propyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-propyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(4-propyl-1,2,4-triazol-3-yl)pyridine is CCCn1cnnc1-c1ccccn1.
What is the InChIKey of 2-(4-propyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is QTJJXKGMMIDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-7-14-8-12-13-10(14)9-5-3-4-6-11-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(4-propyl-1,2,4-triazol-3-yl)pyridine?
2-(4-propyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 188.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 115394967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).