N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide

C6H10N4O2 — CID 103886008

IUPACN-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(11)2-7-6(12)5-8-3-9-10-5/h3-4,11H,2H2,1H3,(H,7,12)(H,8,9,10)/t4-/m1/s1
InChIKeyOLQRNRNYXBTVNK-SCSAIBSYSA-N
MW170.17 g/mol
LogP-1.08
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide

N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103886008) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103886008
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ncn[nH]1
InChIInChI=1S/C6H10N4O2/c1-4(11)2-7-6(12)5-8-3-9-10-5/h3-4,11H,2H2,1H3,(H,7,12)(H,8,9,10)/t4-/m1/s1
InChIKeyOLQRNRNYXBTVNK-SCSAIBSYSA-N
XLogP-1.08
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115301074
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822634
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283707
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide (CID 103886008) is N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide is C[C@@H](O)CNC(=O)c1ncn[nH]1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OLQRNRNYXBTVNK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-4(11)2-7-6(12)5-8-3-9-10-5/h3-4,11H,2H2,1H3,(H,7,12)(H,8,9,10)/t4-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide?
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103886008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).