(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide

C9H15N5O2 — CID 88750347

IUPAC(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide
SMILESCCC(C)(/C(=N\O)C(=O)NC)n1cncn1
InChIInChI=1S/C9H15N5O2/c1-4-9(2,14-6-11-5-12-14)7(13-16)8(15)10-3/h5-6,16H,4H2,1-3H3,(H,10,15)/b13-7-
InChIKeyYVXIEXUYQZESLK-QPEQYQDCSA-N
MW225.25 g/mol
LogP-0.02
Rot. Bonds4

About (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide

(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide (PubChem CID 88750347) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide
PubChem CID88750347
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide
SMILESCCC(C)(/C(=N\O)C(=O)NC)n1cncn1
InChIInChI=1S/C9H15N5O2/c1-4-9(2,14-6-11-5-12-14)7(13-16)8(15)10-3/h5-6,16H,4H2,1-3H3,(H,10,15)/b13-7-
InChIKeyYVXIEXUYQZESLK-QPEQYQDCSA-N
XLogP-0.02
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide?
The IUPAC name of (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide (CID 88750347) is (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide is CCC(C)(/C(=N\O)C(=O)NC)n1cncn1.
What is the InChIKey of (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide?
The InChIKey is YVXIEXUYQZESLK-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-4-9(2,14-6-11-5-12-14)7(13-16)8(15)10-3/h5-6,16H,4H2,1-3H3,(H,10,15)/b13-7-.
What are the key properties of (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide?
(2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide has a molecular weight of 225.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N,3-dimethyl-3-(1,2,4-triazol-1-yl)pentanamide is sourced from PubChem (CID 88750347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).