2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide

C8H15N5O2 — CID 112673930

IUPAC2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
SMILESCCCn1ncnc1CNOCC(N)=O
InChIInChI=1S/C8H15N5O2/c1-2-3-13-8(10-6-11-13)4-12-15-5-7(9)14/h6,12H,2-5H2,1H3,(H2,9,14)
InChIKeyPOPFHXROSMSQBX-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.81
Rot. Bonds7

About 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide

2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide (PubChem CID 112673930) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
PubChem CID112673930
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
SMILESCCCn1ncnc1CNOCC(N)=O
InChIInChI=1S/C8H15N5O2/c1-2-3-13-8(10-6-11-13)4-12-15-5-7(9)14/h6,12H,2-5H2,1H3,(H2,9,14)
InChIKeyPOPFHXROSMSQBX-UHFFFAOYSA-N
XLogP-0.81
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide
CID 112673660
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214219
4-[(2-propyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106841860
ethyl 4-oxo-5-(2-propyl-1,2,4-triazol-3-yl)pentanoate
CID 112744630
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
3-methyl-3-(methylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116566382
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
(2S)-2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methylsulfanyl]propanoic acid
CID 107773596
3-amino-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-one
CID 116557013
2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 103461398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide (CID 112673930) is 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide is CCCn1ncnc1CNOCC(N)=O.
What is the InChIKey of 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
The InChIKey is POPFHXROSMSQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-2-3-13-8(10-6-11-13)4-12-15-5-7(9)14/h6,12H,2-5H2,1H3,(H2,9,14).
What are the key properties of 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide?
2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide has a molecular weight of 213.24 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,2,4-triazol-3-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112673930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).