1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide

C9H14N4O3 — CID 70852574

IUPAC1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2CC(O)[C@@H](CO)C2)n1
InChIInChI=1S/C9H14N4O3/c10-8(16)9-11-4-13(12-9)6-1-5(3-14)7(15)2-6/h4-7,14-15H,1-3H2,(H2,10,16)/t5-,6-,7?/m1/s1
InChIKeyPDYSNYUCQPQQKH-CQMSUOBXSA-N
MW226.24 g/mol
LogP-1.32
Rot. Bonds3

About 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide

1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide (PubChem CID 70852574) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
PubChem CID70852574
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@H]2CC(O)[C@@H](CO)C2)n1
InChIInChI=1S/C9H14N4O3/c10-8(16)9-11-4-13(12-9)6-1-5(3-14)7(15)2-6/h4-7,14-15H,1-3H2,(H2,10,16)/t5-,6-,7?/m1/s1
InChIKeyPDYSNYUCQPQQKH-CQMSUOBXSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide (CID 70852574) is 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@H]2CC(O)[C@@H](CO)C2)n1.
What is the InChIKey of 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is PDYSNYUCQPQQKH-CQMSUOBXSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-8(16)9-11-4-13(12-9)6-1-5(3-14)7(15)2-6/h4-7,14-15H,1-3H2,(H2,10,16)/t5-,6-,7?/m1/s1.
What are the key properties of 1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide?
1-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-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-[(1R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 70852574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).