ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide

C9H16N4O5 — CID 158456764

IUPACethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESCC.NC(=O)c1ncn([C@@H]2O[C@H](O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C7H10N4O5.C2H6/c8-4(14)5-9-1-11(10-5)6-2(12)3(13)7(15)16-6;1-2/h1-3,6-7,12-13,15H,(H2,8,14);1-2H3/t2-,3+,6-,7+;/m1./s1
InChIKeyHEQYEJDGIGPUKY-FVAWWXDJSA-N
MW260.25 g/mol
LogP-2.03
Rot. Bonds2

About ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide

ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 158456764) has the molecular formula C9H16N4O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Nameethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID158456764
Molecular FormulaC9H16N4O5
Molecular Weight260.25 g/mol
Exact Mass260.11
IUPAC Nameethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESCC.NC(=O)c1ncn([C@@H]2O[C@H](O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C7H10N4O5.C2H6/c8-4(14)5-9-1-11(10-5)6-2(12)3(13)7(15)16-6;1-2/h1-3,6-7,12-13,15H,(H2,8,14);1-2H3/t2-,3+,6-,7+;/m1./s1
InChIKeyHEQYEJDGIGPUKY-FVAWWXDJSA-N
XLogP-2.03
TPSA143.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

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-(3-hydroxy-5-methyloxolan-2-yl)-1,2,4-triazole-3-carboxamide
CID 142117333
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
(3S,4R,5R)-5-(3-methyl-1,2,4-triazol-1-yl)oxolane-2,3,4-triol
CID 70917700
[(2R,3S,4R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl diethyl phosphate
CID 162481972
dilithium;[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
CID 57369811
[(2R,3S,4R,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 134940370
1-[(2R,3R,4S)-5-(diethoxyphosphorylsulfanylmethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 166843181
1-[(3R,4S)-5-[(E)-2-diethoxyphosphorylethenyl]-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 166843169

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 158456764) is ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide is CC.NC(=O)c1ncn([C@@H]2O[C@H](O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is HEQYEJDGIGPUKY-FVAWWXDJSA-N. The full InChI is InChI=1S/C7H10N4O5.C2H6/c8-4(14)5-9-1-11(10-5)6-2(12)3(13)7(15)16-6;1-2/h1-3,6-7,12-13,15H,(H2,8,14);1-2H3/t2-,3+,6-,7+;/m1./s1.
What are the key properties of ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide?
ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 158456764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).