1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

C9H14N4O3 — CID 22211267

IUPAC1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CC(CO)CC2O)nn1
InChIInChI=1S/C9H14N4O3/c10-9(16)6-3-13(12-11-6)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H2,10,16)
InChIKeyMOZVYGRHXLVSPA-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.32
Rot. Bonds3

About 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (PubChem CID 22211267) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
PubChem CID22211267
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CC(CO)CC2O)nn1
InChIInChI=1S/C9H14N4O3/c10-9(16)6-3-13(12-11-6)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H2,10,16)
InChIKeyMOZVYGRHXLVSPA-UHFFFAOYSA-N
XLogP-1.32
TPSA114.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4R)-4-methoxyoxolan-3-yl]triazole-4-carboxamide
CID 124708687
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
CID 69091440
1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]triazole-4-carboxamide
CID 20846083
ethyl 1-[(3R,4S)-4-aminooxolan-3-yl]triazole-4-carboxylate
CID 178194330
1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[2-(4-propylphenyl)ethynyl]triazole-4-carboxamide
CID 11501535
[(1S,3R,4R)-3-iodo-4-(4-pyridin-2-yltriazol-1-yl)cyclopentyl]methanol
CID 24740445
1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide
CID 158624105
1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
CID 90665271
1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 167950050
1-[1-(2-phenylbenzoyl)azetidin-3-yl]triazole-4-carboxamide
CID 75473352
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide
CID 161244932

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (CID 22211267) is 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is NC(=O)c1cn(C2CC(CO)CC2O)nn1.
What is the InChIKey of 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The InChIKey is MOZVYGRHXLVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-9(16)6-3-13(12-11-6)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H2,10,16).
What are the key properties of 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is sourced from PubChem (CID 22211267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).