2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

C8H13N5O4 — CID 90673688

IUPAC2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O
InChIInChI=1S/C8H13N5O4/c9-4-3(1-14)17-8(5(4)15)13-7(6(10)16)11-2-12-13/h2-5,8,14-15H,1,9H2,(H2,10,16)/t3-,4-,5-,8-/m1/s1
InChIKeySKDWPACQWJERKL-AFCXAGJDSA-N
MW243.22 g/mol
LogP-3.05
Rot. Bonds3

About 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 90673688) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID90673688
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncnn1[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O
InChIInChI=1S/C8H13N5O4/c9-4-3(1-14)17-8(5(4)15)13-7(6(10)16)11-2-12-13/h2-5,8,14-15H,1,9H2,(H2,10,16)/t3-,4-,5-,8-/m1/s1
InChIKeySKDWPACQWJERKL-AFCXAGJDSA-N
XLogP-3.05
TPSA149.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[[[(2R,3S,4R,5R)-5-(5-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 134978390
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
CID 69091440
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-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-nitropyrazole-5-carboxamide
CID 23269148
(2R,3R,4R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 12800105
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazole-4-carboxamide
CID 59330607
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylimidazo[4,5-e][1,2,4]triazin-6-one
CID 102168841
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-ethynylimidazole-2-carboxamide
CID 87895473
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
5-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 46875910

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 90673688) is 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncnn1[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is SKDWPACQWJERKL-AFCXAGJDSA-N. The full InChI is InChI=1S/C8H13N5O4/c9-4-3(1-14)17-8(5(4)15)13-7(6(10)16)11-2-12-13/h2-5,8,14-15H,1,9H2,(H2,10,16)/t3-,4-,5-,8-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 243.22 g/mol, XLogP of -3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5S)-4-amino-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90673688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).