1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide

C8H12N4O3 — CID 142117333

IUPAC1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCC1CC(O)C(n2cnc(C(N)=O)n2)O1
InChIInChI=1S/C8H12N4O3/c1-4-2-5(13)8(15-4)12-3-10-7(11-12)6(9)14/h3-5,8,13H,2H2,1H3,(H2,9,14)
InChIKeyLRFNUHGTYHBWCH-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.95
Rot. Bonds2

About 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide

1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 142117333) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID142117333
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCC1CC(O)C(n2cnc(C(N)=O)n2)O1
InChIInChI=1S/C8H12N4O3/c1-4-2-5(13)8(15-4)12-3-10-7(11-12)6(9)14/h3-5,8,13H,2H2,1H3,(H2,9,14)
InChIKeyLRFNUHGTYHBWCH-UHFFFAOYSA-N
XLogP-0.95
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 158456764
[(2R,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxyoxolan-2-yl]oxymethylphosphonic acid
CID 25007157
[(2S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxyoxolan-2-yl]methoxy-oxo-sulfanylphosphanium
CID 146511899
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
copper;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 174517530
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;methane
CID 161460881
1-[6-(hydroxymethyl)-2-methyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazole-3-carboxamide
CID 20818638
1-[(2R,3R)-5-(methoxymethyl)-3,4-dimethyloxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 59892685
[(2S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-4-hydroxyoxolan-2-yl]methoxy-ethenylphosphinic acid
CID 146511237
1-[(2R,3R,5S)-5-(2-diethoxyphosphoryl-2,2-difluoroethyl)-3-hydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 146511071
1-[(3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 162481932
[(2S,3R,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 98261455

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide (CID 142117333) is 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide is CC1CC(O)C(n2cnc(C(N)=O)n2)O1.
What is the InChIKey of 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is LRFNUHGTYHBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-4-2-5(13)8(15-4)12-3-10-7(11-12)6(9)14/h3-5,8,13H,2H2,1H3,(H2,9,14).
What are the key properties of 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide?
1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 142117333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).