N-pentyl-N-(triazin-4-yl)hydroxylamine

C8H14N4O — CID 88680972

IUPACN-pentyl-N-(triazin-4-yl)hydroxylamine
SMILESCCCCCN(O)c1ccnnn1
InChIInChI=1S/C8H14N4O/c1-2-3-4-7-12(13)8-5-6-9-11-10-8/h5-6,13H,2-4,7H2,1H3
InChIKeyJSNGOFLPQFZIJH-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.26
Rot. Bonds5

About N-pentyl-N-(triazin-4-yl)hydroxylamine

N-pentyl-N-(triazin-4-yl)hydroxylamine (PubChem CID 88680972) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-pentyl-N-(triazin-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-pentyl-N-(triazin-4-yl)hydroxylamine
PubChem CID88680972
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-pentyl-N-(triazin-4-yl)hydroxylamine
SMILESCCCCCN(O)c1ccnnn1
InChIInChI=1S/C8H14N4O/c1-2-3-4-7-12(13)8-5-6-9-11-10-8/h5-6,13H,2-4,7H2,1H3
InChIKeyJSNGOFLPQFZIJH-UHFFFAOYSA-N
XLogP1.26
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-(triazin-4-yl)hydroxylamine?
The IUPAC name of N-pentyl-N-(triazin-4-yl)hydroxylamine (CID 88680972) is N-pentyl-N-(triazin-4-yl)hydroxylamine.
What is the SMILES notation for N-pentyl-N-(triazin-4-yl)hydroxylamine?
The canonical SMILES for N-pentyl-N-(triazin-4-yl)hydroxylamine is CCCCCN(O)c1ccnnn1.
What is the InChIKey of N-pentyl-N-(triazin-4-yl)hydroxylamine?
The InChIKey is JSNGOFLPQFZIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-7-12(13)8-5-6-9-11-10-8/h5-6,13H,2-4,7H2,1H3.
What are the key properties of N-pentyl-N-(triazin-4-yl)hydroxylamine?
N-pentyl-N-(triazin-4-yl)hydroxylamine has a molecular weight of 182.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-(triazin-4-yl)hydroxylamine is sourced from PubChem (CID 88680972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).