1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide

C13H14N4O7 — CID 123600049

IUPAC1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(C2OC(CO)C(O)C2O)c1C(=O)c1ccco1
InChIInChI=1S/C13H14N4O7/c14-12(22)7-8(9(19)5-2-1-3-23-5)17(16-15-7)13-11(21)10(20)6(4-18)24-13/h1-3,6,10-11,13,18,20-21H,4H2,(H2,14,22)
InChIKeyAHVIRCRZNWWWIY-UHFFFAOYSA-N
MW338.28 g/mol
LogP-2.19
Rot. Bonds5

About 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide (PubChem CID 123600049) has the molecular formula C13H14N4O7 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide
PubChem CID123600049
Molecular FormulaC13H14N4O7
Molecular Weight338.28 g/mol
Exact Mass338.09
IUPAC Name1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide
SMILESNC(=O)c1nnn(C2OC(CO)C(O)C2O)c1C(=O)c1ccco1
InChIInChI=1S/C13H14N4O7/c14-12(22)7-8(9(19)5-2-1-3-23-5)17(16-15-7)13-11(21)10(20)6(4-18)24-13/h1-3,6,10-11,13,18,20-21H,4H2,(H2,14,22)
InChIKeyAHVIRCRZNWWWIY-UHFFFAOYSA-N
XLogP-2.19
TPSA173.93 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-3,4-dicarboxamide
CID 46875991
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenyl-1,2,4-triazole-3-carboxamide
CID 101404243
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynyltriazole-4-carboxamide;methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynyltriazole-4-carboxylate
CID 159157462
1-(furan-2-yl)-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone
CID 67764538
5-chloro-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carbothioamide
CID 23271394
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
(2R,3R)-2-(4-aminotriazolo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 21157911
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2-phenylethynyl)pyrazole-3-carboxamide
CID 24754989
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
CID 69091440
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-phenylbut-1-ynyl)imidazole-4-carboxamide
CID 46876966
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 46875910
1-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-nitropyrazole-5-carboxamide
CID 23269148

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide?
The IUPAC name of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide (CID 123600049) is 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide?
The canonical SMILES for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide is NC(=O)c1nnn(C2OC(CO)C(O)C2O)c1C(=O)c1ccco1.
What is the InChIKey of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide?
The InChIKey is AHVIRCRZNWWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O7/c14-12(22)7-8(9(19)5-2-1-3-23-5)17(16-15-7)13-11(21)10(20)6(4-18)24-13/h1-3,6,10-11,13,18,20-21H,4H2,(H2,14,22).
What are the key properties of 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide?
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide has a molecular weight of 338.28 g/mol, XLogP of -2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(furan-2-carbonyl)triazole-4-carboxamide is sourced from PubChem (CID 123600049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).