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

C6H10N4O3 — CID 14038870

IUPAC1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(COCCO)n1
InChIInChI=1S/C6H10N4O3/c7-5(12)6-8-3-10(9-6)4-13-2-1-11/h3,11H,1-2,4H2,(H2,7,12)
InChIKeySIPGHVITCMZCHC-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.66
Rot. Bonds5

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

1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 14038870) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID14038870
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(COCCO)n1
InChIInChI=1S/C6H10N4O3/c7-5(12)6-8-3-10(9-6)4-13-2-1-11/h3,11H,1-2,4H2,(H2,7,12)
InChIKeySIPGHVITCMZCHC-UHFFFAOYSA-N
XLogP-1.66
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-1,2,4-triazole-3-carboxamide
CID 44374385
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
5-Amino-2-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide
CID 101491223
1-[[(2R,3R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxymethyl]-1,2,4-triazole-3-carboxamide
CID 101835736
1-{(1R)-1-[(1,3-Dihydroxypropan-2-yl)oxy]-2-fluoroethyl}-1H-1,2,4-triazole-3-carboxamide
CID 165340727
2R,3s-1-[[1,3-Dihydroxy-2-butoxy]methyl]-1,2,4-triazole-3-carboxamide
CID 580621
1-(1-Ethoxyethyl)-1,2,4-triazole-3-carboxamide
CID 21498942
2-(1-Ethoxyethyl)-1,2,4-triazole-3-carboxamide
CID 21498943
1-(2-Hydroxyethyl)-1,2,4-triazole-3-carboxamide
CID 45084435

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide (CID 14038870) is 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(COCCO)n1.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SIPGHVITCMZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c7-5(12)6-8-3-10(9-6)4-13-2-1-11/h3,11H,1-2,4H2,(H2,7,12).
What are the key properties of 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide?
1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 186.17 g/mol, XLogP of -1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14038870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).