1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole

C13H25N3 — CID 123696376

IUPAC1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole
SMILESCCCC(CCC)Cc1ncnn1C(C)C
InChIInChI=1S/C13H25N3/c1-5-7-12(8-6-2)9-13-14-10-15-16(13)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyJQHFXVUDBMCIOX-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.62
Rot. Bonds7

About 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole

1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole (PubChem CID 123696376) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole
PubChem CID123696376
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole
SMILESCCCC(CCC)Cc1ncnn1C(C)C
InChIInChI=1S/C13H25N3/c1-5-7-12(8-6-2)9-13-14-10-15-16(13)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyJQHFXVUDBMCIOX-UHFFFAOYSA-N
XLogP3.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexazole
CID 3083863
1-cyclohexyl-4-(4-isopropyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192541
N-{[1-(cyclohexylmethyl)-1H-1,2,4-triazol-5-yl]methyl}-N-methylpropan-2-amine
CID 72866390
N-ethyl-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 86803544
(1S)-1-cyclohexyl-N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]-N-methylethanamine
CID 100709430
(3R)-1-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 129622704
1-(2-Fluoroethyl)-3-heptyl-1,2,4-triazole
CID 21869096
3-Decyl-1-(2-fluoroethyl)-1,2,4-triazole
CID 21869107
1-(Cyclohexylmethyl)-3-(difluoromethyl)-5-methyl-1,2,4-triazole
CID 68264932
3-Decan-3-yl-1-(2-fluoroethyl)-1,2,4-triazole
CID 69050322
1-(2,2-Difluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500044
1-(2-Fluoroethyl)-3-tridecan-7-yl-1,2,4-triazole
CID 126500103

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole?
The IUPAC name of 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole (CID 123696376) is 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole.
What is the SMILES notation for 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole?
The canonical SMILES for 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole is CCCC(CCC)Cc1ncnn1C(C)C.
What is the InChIKey of 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole?
The InChIKey is JQHFXVUDBMCIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-12(8-6-2)9-13-14-10-15-16(13)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole?
1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole has a molecular weight of 223.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2-propylpentyl)-1,2,4-triazole is sourced from PubChem (CID 123696376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).