3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole

C12H19N3 — CID 107180038

IUPAC3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole
SMILESCC1(C)CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H19N3/c1-12(2)7-3-4-9(12)11-13-10(14-15-11)8-5-6-8/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyQIFPESKCFNZYKW-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.98
Rot. Bonds2

About 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole

3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole (PubChem CID 107180038) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole
PubChem CID107180038
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole
SMILESCC1(C)CCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C12H19N3/c1-12(2)7-3-4-9(12)11-13-10(14-15-11)8-5-6-8/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyQIFPESKCFNZYKW-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176924
6-(2,2-dimethylcyclopentyl)-1,3,5-triazine-2,4-diamine
CID 107176876
(3R)-1-[5-(2,2-dimethylcyclohexyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 107176930
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-(oxan-4-yl)-2-azaspiro[4.4]nonane
CID 146070347
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 84664294
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 61338878
5-(2,2-dimethylcyclohexyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 107180069
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
5-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
CID 77043285
2-(2,2-dimethylcyclopentyl)-4-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186419

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole (CID 107180038) is 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole is CC1(C)CCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole?
The InChIKey is QIFPESKCFNZYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2)7-3-4-9(12)11-13-10(14-15-11)8-5-6-8/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole?
3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole has a molecular weight of 205.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole is sourced from PubChem (CID 107180038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).