(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine

C7H12N4O — CID 20518226

IUPAC(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cncn1
InChIInChI=1S/C7H12N4O/c1-7(2,3)6(10-12)11-5-8-4-9-11/h4-5,12H,1-3H3/b10-6-
InChIKeyLUUOMXBBKVEYQC-POHAHGRESA-N
MW168.20 g/mol
LogP0.96
Rot. Bonds

About (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine

(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine (PubChem CID 20518226) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
PubChem CID20518226
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine
SMILESCC(C)(C)/C(=N/O)n1cncn1
InChIInChI=1S/C7H12N4O/c1-7(2,3)6(10-12)11-5-8-4-9-11/h4-5,12H,1-3H3/b10-6-
InChIKeyLUUOMXBBKVEYQC-POHAHGRESA-N
XLogP0.96
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine (CID 20518226) is (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine is CC(C)(C)/C(=N/O)n1cncn1.
What is the InChIKey of (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
The InChIKey is LUUOMXBBKVEYQC-POHAHGRESA-N. The full InChI is InChI=1S/C7H12N4O/c1-7(2,3)6(10-12)11-5-8-4-9-11/h4-5,12H,1-3H3/b10-6-.
What are the key properties of (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine?
(NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine has a molecular weight of 168.20 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-dimethyl-1-(1,2,4-triazol-1-yl)propylidene]hydroxylamine is sourced from PubChem (CID 20518226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).