N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide

C15H18N4O3 — CID 98783355

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O3/c20-9-10-6-11(7-14(10)21)17-15(22)13-8-16-19(18-13)12-4-2-1-3-5-12/h1-5,8,10-11,14,20-21H,6-7,9H2,(H,17,22)/t10-,11-,14-/m0/s1
InChIKeyUTBHQPHOOOQLMH-MJVIPROJSA-N
MW302.33 g/mol
LogP0.13
Rot. Bonds4

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide (PubChem CID 98783355) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
PubChem CID98783355
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O3/c20-9-10-6-11(7-14(10)21)17-15(22)13-8-16-19(18-13)12-4-2-1-3-5-12/h1-5,8,10-11,14,20-21H,6-7,9H2,(H,17,22)/t10-,11-,14-/m0/s1
InChIKeyUTBHQPHOOOQLMH-MJVIPROJSA-N
XLogP0.13
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide (CID 98783355) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide is O=C(N[C@H]1C[C@@H](CO)[C@@H](O)C1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is UTBHQPHOOOQLMH-MJVIPROJSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-9-10-6-11(7-14(10)21)17-15(22)13-8-16-19(18-13)12-4-2-1-3-5-12/h1-5,8,10-11,14,20-21H,6-7,9H2,(H,17,22)/t10-,11-,14-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 98783355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).