5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide

C6H11N5O3 — CID 101491223

IUPAC5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(N)nn1COCCO
InChIInChI=1S/C6H11N5O3/c7-4(13)5-9-6(8)10-11(5)3-14-2-1-12/h12H,1-3H2,(H2,7,13)(H2,8,10)
InChIKeyWDDGOXYLGCGUJO-UHFFFAOYSA-N
MW201.19 g/mol
LogP-2.07
Rot. Bonds5

About 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide

5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 101491223) has the molecular formula C6H11N5O3 and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID101491223
Molecular FormulaC6H11N5O3
Molecular Weight201.19 g/mol
Exact Mass201.09
IUPAC Name5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1nc(N)nn1COCCO
InChIInChI=1S/C6H11N5O3/c7-4(13)5-9-6(8)10-11(5)3-14-2-1-12/h12H,1-3H2,(H2,7,13)(H2,8,10)
InChIKeyWDDGOXYLGCGUJO-UHFFFAOYSA-N
XLogP-2.07
TPSA129.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
CID 14038870
1-(1,5-Dihydroxy-3-oxapent-2-yl)-1,2,4-triazole-5-carboxamide
CID 189928
1-(2-Hydroxyethoxymethyl)-1,2,4-tiazole-5-carboxamide
CID 125963
5-Bromo-1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
CID 44542416
2R,3S-1-[1,3,4-Trihydroxy-2-butoxymethyl]-1,2,4-triazole-3-carboxamide
CID 544290
2R,3s-1-[[1,3-Dihydroxy-2-butoxy]methyl]-1,2,4-triazole-3-carboxamide
CID 580621
1-(2-Hydroxyethyl)-1,2,4-triazole-3-carboxamide
CID 45084435
1-(1-Hydroxyethyl)-1,2,4-triazole-3-carboxamide
CID 56997289
1-(Hydroxymethyl)-1,2,4-triazole-3-carboxamide
CID 57049753
1-[[(2R,3R)-1,3,4-trihydroxybutan-2-yl]oxymethyl]-1,2,4-triazole-3-carboxamide
CID 71163875
5-(Hydroxymethyl)-1-methyl-1,2,4-triazole-3-carboxamide
CID 177911809
1-(1,3-Dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide
CID 13144506

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide (CID 101491223) is 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1nc(N)nn1COCCO.
What is the InChIKey of 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WDDGOXYLGCGUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3/c7-4(13)5-9-6(8)10-11(5)3-14-2-1-12/h12H,1-3H2,(H2,7,13)(H2,8,10).
What are the key properties of 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 201.19 g/mol, XLogP of -2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 101491223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).