1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid

C11H17N3O2 — CID 62054360

IUPAC1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-7(2)10-9(11(15)16)12-13-14(10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyMYWBPPCOYZJKGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.21
Rot. Bonds3

About 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid

1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid (PubChem CID 62054360) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
PubChem CID62054360
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nnn1C1CCCC1
InChIInChI=1S/C11H17N3O2/c1-7(2)10-9(11(15)16)12-13-14(10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyMYWBPPCOYZJKGW-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-(difluoromethyl)triazole-4-carboxylic acid
CID 102644673
5-(difluoromethyl)-1-(oxan-3-yl)triazole-4-carboxylic acid
CID 107137398
1-ethyl-5-propan-2-yltriazole-4-carboxylic acid
CID 62061254
ethyl 1-(4-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105218
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557
ethyl 1-(2-ethylcyclohexyl)-5-propan-2-yltriazole-4-carboxylate
CID 103105252
1,5-dicyclopropyltriazole-4-carboxylic acid
CID 105446875
7-methyl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxylic acid
CID 83816985
1-(4-hydroxybutyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 62059493
1-(2-methylbutyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 62103502
1-(2,3-dihydroxypropyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 79015240
5-propan-2-yl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazole-4-carboxylic acid
CID 107078659

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid (CID 62054360) is 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid is CC(C)c1c(C(=O)O)nnn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid?
The InChIKey is MYWBPPCOYZJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)10-9(11(15)16)12-13-14(10)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid?
1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-propan-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 62054360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).