1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide

C7H12N4O4 — CID 13144506

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(COC(CO)CO)n1
InChIInChI=1S/C7H12N4O4/c8-6(14)7-9-3-11(10-7)4-15-5(1-12)2-13/h3,5,12-13H,1-2,4H2,(H2,8,14)
InChIKeyIOOPTJXYSVSADN-UHFFFAOYSA-N
MW216.20 g/mol
LogP-2.30
Rot. Bonds6

About 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide

1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 13144506) has the molecular formula C7H12N4O4 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID13144506
Molecular FormulaC7H12N4O4
Molecular Weight216.20 g/mol
Exact Mass216.09
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(COC(CO)CO)n1
InChIInChI=1S/C7H12N4O4/c8-6(14)7-9-3-11(10-7)4-15-5(1-12)2-13/h3,5,12-13H,1-2,4H2,(H2,8,14)
InChIKeyIOOPTJXYSVSADN-UHFFFAOYSA-N
XLogP-2.30
TPSA123.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide (CID 13144506) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(COC(CO)CO)n1.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is IOOPTJXYSVSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4/c8-6(14)7-9-3-11(10-7)4-15-5(1-12)2-13/h3,5,12-13H,1-2,4H2,(H2,8,14).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide?
1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 216.20 g/mol, XLogP of -2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yloxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 13144506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).