4-cycloheptyl-1-pyrrolidin-3-yltriazole

C13H22N4 — CID 115040470

IUPAC4-cycloheptyl-1-pyrrolidin-3-yltriazole
SMILESc1c(C2CCCCCC2)nnn1C1CCNC1
InChIInChI=1S/C13H22N4/c1-2-4-6-11(5-3-1)13-10-17(16-15-13)12-7-8-14-9-12/h10-12,14H,1-9H2
InChIKeyKEFPEDGPMOLQAU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.25
Rot. Bonds2

About 4-cycloheptyl-1-pyrrolidin-3-yltriazole

4-cycloheptyl-1-pyrrolidin-3-yltriazole (PubChem CID 115040470) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-cycloheptyl-1-pyrrolidin-3-yltriazole.

Molecular Properties

Compound Name4-cycloheptyl-1-pyrrolidin-3-yltriazole
PubChem CID115040470
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-cycloheptyl-1-pyrrolidin-3-yltriazole
SMILESc1c(C2CCCCCC2)nnn1C1CCNC1
InChIInChI=1S/C13H22N4/c1-2-4-6-11(5-3-1)13-10-17(16-15-13)12-7-8-14-9-12/h10-12,14H,1-9H2
InChIKeyKEFPEDGPMOLQAU-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dicyclohexyltriazole
CID 46204135
1-pyrrolidin-3-yltriazol-4-amine;dihydrochloride
CID 19005938
4-[1-(4-methylcyclohexyl)triazol-4-yl]piperidine
CID 177025421
(2S,4S)-4-(4-cyclopentyltriazol-1-yl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 154924751
1-(1-cyclohexylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184482
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
1-(1-cyclopentylpyrrolidin-3-yl)-4-cyclopropyltriazole
CID 121184481
3-(4-pyrrolidin-3-yltriazol-1-yl)pyrrolidin-2-one
CID 154866029
1-(azetidin-3-yl)-4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)triazole
CID 79316170
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
(3R)-3-[4-(methoxymethyl)triazol-1-yl]piperidine
CID 129494266
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 46992385

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-1-pyrrolidin-3-yltriazole?
The IUPAC name of 4-cycloheptyl-1-pyrrolidin-3-yltriazole (CID 115040470) is 4-cycloheptyl-1-pyrrolidin-3-yltriazole.
What is the SMILES notation for 4-cycloheptyl-1-pyrrolidin-3-yltriazole?
The canonical SMILES for 4-cycloheptyl-1-pyrrolidin-3-yltriazole is c1c(C2CCCCCC2)nnn1C1CCNC1.
What is the InChIKey of 4-cycloheptyl-1-pyrrolidin-3-yltriazole?
The InChIKey is KEFPEDGPMOLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-4-6-11(5-3-1)13-10-17(16-15-13)12-7-8-14-9-12/h10-12,14H,1-9H2.
What are the key properties of 4-cycloheptyl-1-pyrrolidin-3-yltriazole?
4-cycloheptyl-1-pyrrolidin-3-yltriazole has a molecular weight of 234.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-1-pyrrolidin-3-yltriazole is sourced from PubChem (CID 115040470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).