(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide

C9H15N5O2 — CID 88749808

IUPAC(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide
SMILESCN(C)C(=O)/C(=N/O)C(C)(C)n1cncn1
InChIInChI=1S/C9H15N5O2/c1-9(2,14-6-10-5-11-14)7(12-16)8(15)13(3)4/h5-6,16H,1-4H3/b12-7-
InChIKeyLOYUDEUDGBNJAY-GHXNOFRVSA-N
MW225.25 g/mol
LogP-0.07
Rot. Bonds3

About (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide

(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 88749808) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID88749808
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide
SMILESCN(C)C(=O)/C(=N/O)C(C)(C)n1cncn1
InChIInChI=1S/C9H15N5O2/c1-9(2,14-6-10-5-11-14)7(12-16)8(15)13(3)4/h5-6,16H,1-4H3/b12-7-
InChIKeyLOYUDEUDGBNJAY-GHXNOFRVSA-N
XLogP-0.07
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
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,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide (CID 88749808) is (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide is CN(C)C(=O)/C(=N/O)C(C)(C)n1cncn1.
What is the InChIKey of (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is LOYUDEUDGBNJAY-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2,14-6-10-5-11-14)7(12-16)8(15)13(3)4/h5-6,16H,1-4H3/b12-7-.
What are the key properties of (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide?
(2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 225.25 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N,N,3-trimethyl-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 88749808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).