3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole

C10H16N4 — CID 84664294

IUPAC3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESC1CC(c2n[nH]c(C3CCCN3)n2)C1
InChIInChI=1S/C10H16N4/c1-3-7(4-1)9-12-10(14-13-9)8-5-2-6-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyWXAZIDRSIYPJDT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.50
Rot. Bonds2

About 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole

3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole (PubChem CID 84664294) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
PubChem CID84664294
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
SMILESC1CC(c2n[nH]c(C3CCCN3)n2)C1
InChIInChI=1S/C10H16N4/c1-3-7(4-1)9-12-10(14-13-9)8-5-2-6-11-8/h7-8,11H,1-6H2,(H,12,13,14)
InChIKeyWXAZIDRSIYPJDT-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[(2R)-pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 136589176
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125449320
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894902
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339
5-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)pyrazolidin-3-amine
CID 77043285
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole (CID 84664294) is 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole is C1CC(c2n[nH]c(C3CCCN3)n2)C1.
What is the InChIKey of 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
The InChIKey is WXAZIDRSIYPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-7(4-1)9-12-10(14-13-9)8-5-2-6-11-8/h7-8,11H,1-6H2,(H,12,13,14).
What are the key properties of 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole?
3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole has a molecular weight of 192.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-pyrrolidin-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 84664294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).