N-(propyldiazenyl)formamide

C4H9N3O — CID 174874748

IUPACN-(propyldiazenyl)formamide
SMILESCCC/N=N/NC=O
InChIInChI=1S/C4H9N3O/c1-2-3-5-7-6-4-8/h4H,2-3H2,1H3,(H,5,6,8)
InChIKeyWEBAHYGHOXNQDG-UHFFFAOYSA-N
MW115.14 g/mol
LogP0.51
Rot. Bonds4

About N-(propyldiazenyl)formamide

N-(propyldiazenyl)formamide (PubChem CID 174874748) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-(propyldiazenyl)formamide.

Molecular Properties

Compound NameN-(propyldiazenyl)formamide
PubChem CID174874748
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-(propyldiazenyl)formamide
SMILESCCC/N=N/NC=O
InChIInChI=1S/C4H9N3O/c1-2-3-5-7-6-4-8/h4H,2-3H2,1H3,(H,5,6,8)
InChIKeyWEBAHYGHOXNQDG-UHFFFAOYSA-N
XLogP0.51
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide
CID 168935775
(E)-N-(4-methylpentyldiazenyl)oct-1-en-1-amine
CID 88940373
butane;oxaldehyde
CID 87585246
ethane;N-methylformamide;octane
CID 164590964
3-amino-3-propyliminopropanamide
CID 126994511
N-pentacosylformamide
CID 88723962
ethane;N-pentylformamide
CID 145350301
N-(ethylsulfanylamino)formamide
CID 174418722
CID 177396186
CID 177396186
N-heptan-4-ylformamide
CID 14473374
N-tetracosylformamide
CID 54077607
N-[2-[2-(propylamino)ethylamino]ethyl]formamide
CID 150221110

Frequently Asked Questions

What is the IUPAC name of N-(propyldiazenyl)formamide?
The IUPAC name of N-(propyldiazenyl)formamide (CID 174874748) is N-(propyldiazenyl)formamide.
What is the SMILES notation for N-(propyldiazenyl)formamide?
The canonical SMILES for N-(propyldiazenyl)formamide is CCC/N=N/NC=O.
What is the InChIKey of N-(propyldiazenyl)formamide?
The InChIKey is WEBAHYGHOXNQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-3-5-7-6-4-8/h4H,2-3H2,1H3,(H,5,6,8).
What are the key properties of N-(propyldiazenyl)formamide?
N-(propyldiazenyl)formamide has a molecular weight of 115.14 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propyldiazenyl)formamide is sourced from PubChem (CID 174874748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).