N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine

C7H14N4O — CID 103399314

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
SMILESCC(C)(C)n1cc(CNO)nn1
InChIInChI=1S/C7H14N4O/c1-7(2,3)11-5-6(4-8-12)9-10-11/h5,8,12H,4H2,1-3H3
InChIKeyNYZWLMZLZSIGRO-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.51
Rot. Bonds2

About N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine

N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine (PubChem CID 103399314) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
PubChem CID103399314
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
SMILESCC(C)(C)n1cc(CNO)nn1
InChIInChI=1S/C7H14N4O/c1-7(2,3)11-5-6(4-8-12)9-10-11/h5,8,12H,4H2,1-3H3
InChIKeyNYZWLMZLZSIGRO-UHFFFAOYSA-N
XLogP0.51
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine (CID 103399314) is N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine is CC(C)(C)n1cc(CNO)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine?
The InChIKey is NYZWLMZLZSIGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-7(2,3)11-5-6(4-8-12)9-10-11/h5,8,12H,4H2,1-3H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine?
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine has a molecular weight of 170.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 103399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).