3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C14H22N4 — CID 102894902

IUPAC3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CCC(c2n[nH]c(C3NCC4CCCC43)n2)C1
InChIInChI=1S/C14H22N4/c1-2-5-9(4-1)13-16-14(18-17-13)12-11-7-3-6-10(11)8-15-12/h9-12,15H,1-8H2,(H,16,17,18)
InChIKeyXFRXJTUGVWYVDS-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.52
Rot. Bonds2

About 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894902) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894902
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CCC(c2n[nH]c(C3NCC4CCCC43)n2)C1
InChIInChI=1S/C14H22N4/c1-2-5-9(4-1)13-16-14(18-17-13)12-11-7-3-6-10(11)8-15-12/h9-12,15H,1-8H2,(H,16,17,18)
InChIKeyXFRXJTUGVWYVDS-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-cyclooctyl-1,2,4-oxadiazole
CID 102894768
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
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 102894769
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 102892588
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-indole
CID 80566356
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 61338891

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894902) is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is C1CCC(c2n[nH]c(C3NCC4CCCC43)n2)C1.
What is the InChIKey of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is XFRXJTUGVWYVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-5-9(4-1)13-16-14(18-17-13)12-11-7-3-6-10(11)8-15-12/h9-12,15H,1-8H2,(H,16,17,18).
What are the key properties of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 246.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).