N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide

C7H12N6O2 — CID 64517400

IUPACN-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
SMILESNCCNC(=O)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H12N6O2/c8-1-2-9-6(14)7(15)10-3-5-11-4-12-13-5/h4H,1-3,8H2,(H,9,14)(H,10,15)(H,11,12,13)
InChIKeyYIDSJWUCROBOOF-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.50
Rot. Bonds4

About N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide

N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide (PubChem CID 64517400) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
PubChem CID64517400
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC NameN-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide
SMILESNCCNC(=O)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H12N6O2/c8-1-2-9-6(14)7(15)10-3-5-11-4-12-13-5/h4H,1-3,8H2,(H,9,14)(H,10,15)(H,11,12,13)
InChIKeyYIDSJWUCROBOOF-UHFFFAOYSA-N
XLogP-2.50
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
4-amino-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155320
1-[4-(aminomethyl)phenyl]-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64529601
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
5-amino-2,4-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61117794
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
1-(4-aminophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 64531181

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide (CID 64517400) is N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide is NCCNC(=O)C(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide?
The InChIKey is YIDSJWUCROBOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c8-1-2-9-6(14)7(15)10-3-5-11-4-12-13-5/h4H,1-3,8H2,(H,9,14)(H,10,15)(H,11,12,13).
What are the key properties of N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide?
N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide has a molecular weight of 212.21 g/mol, XLogP of -2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(1H-1,2,4-triazol-5-ylmethyl)oxamide is sourced from PubChem (CID 64517400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).