N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

C7H11N5O3 — CID 108521356

IUPACN-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H11N5O3/c1-4(13)2-8-5(14)6(15)11-7-9-3-10-12-7/h3-4,13H,2H2,1H3,(H,8,14)(H2,9,10,11,12,15)
InChIKeyKJQLAJFRBKHKBG-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.76
Rot. Bonds3

About N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide

N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (PubChem CID 108521356) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
PubChem CID108521356
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
SMILESCC(O)CNC(=O)C(=O)Nc1ncn[nH]1
InChIInChI=1S/C7H11N5O3/c1-4(13)2-8-5(14)6(15)11-7-9-3-10-12-7/h3-4,13H,2H2,1H3,(H,8,14)(H2,9,10,11,12,15)
InChIKeyKJQLAJFRBKHKBG-UHFFFAOYSA-N
XLogP-1.76
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The IUPAC name of N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide (CID 108521356) is N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is CC(O)CNC(=O)C(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
The InChIKey is KJQLAJFRBKHKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4(13)2-8-5(14)6(15)11-7-9-3-10-12-7/h3-4,13H,2H2,1H3,(H,8,14)(H2,9,10,11,12,15).
What are the key properties of N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide?
N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide has a molecular weight of 213.20 g/mol, XLogP of -1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide is sourced from PubChem (CID 108521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).