1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid

C12H17N3O2 — CID 62873844

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nnc3n2CCC3)CCCC1
InChIInChI=1S/C12H17N3O2/c16-11(17)12(5-1-2-6-12)8-10-14-13-9-4-3-7-15(9)10/h1-8H2,(H,16,17)
InChIKeyQPWWWYICCXDJKS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.41
Rot. Bonds3

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 62873844) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID62873844
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2nnc3n2CCC3)CCCC1
InChIInChI=1S/C12H17N3O2/c16-11(17)12(5-1-2-6-12)8-10-14-13-9-4-3-7-15(9)10/h1-8H2,(H,16,17)
InChIKeyQPWWWYICCXDJKS-UHFFFAOYSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclobutan-1-amine
CID 79846172
1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 61376675
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-azaspiro[5.6]dodecane-2-carboxamide
CID 86769553
1-piperidin-1-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)cyclohexane-1-carboxamide
CID 50977682
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethoxy)acetic acid
CID 62875346
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)thiane-4-carboxylic acid
CID 82381823
2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 107078231
3-(1-adamantylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59656128
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 107078225
tert-butyl N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylcarbamate
CID 63787812
(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)propanoic acid
CID 107076457
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid (CID 62873844) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2nnc3n2CCC3)CCCC1.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is QPWWWYICCXDJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(17)12(5-1-2-6-12)8-10-14-13-9-4-3-7-15(9)10/h1-8H2,(H,16,17).
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62873844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).