N-heptan-4-yloxadiazol-5-amine

C9H17N3O — CID 173144119

IUPACN-heptan-4-yloxadiazol-5-amine
SMILESCCCC(CCC)Nc1cnno1
InChIInChI=1S/C9H17N3O/c1-3-5-8(6-4-2)11-9-7-10-12-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyTZBPUQAQJUHAOW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.45
Rot. Bonds6

About N-heptan-4-yloxadiazol-5-amine

N-heptan-4-yloxadiazol-5-amine (PubChem CID 173144119) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-heptan-4-yloxadiazol-5-amine.

Molecular Properties

Compound NameN-heptan-4-yloxadiazol-5-amine
PubChem CID173144119
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-heptan-4-yloxadiazol-5-amine
SMILESCCCC(CCC)Nc1cnno1
InChIInChI=1S/C9H17N3O/c1-3-5-8(6-4-2)11-9-7-10-12-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyTZBPUQAQJUHAOW-UHFFFAOYSA-N
XLogP2.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-heptan-4-yloxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yloxadiazol-5-amine?
The IUPAC name of N-heptan-4-yloxadiazol-5-amine (CID 173144119) is N-heptan-4-yloxadiazol-5-amine.
What is the SMILES notation for N-heptan-4-yloxadiazol-5-amine?
The canonical SMILES for N-heptan-4-yloxadiazol-5-amine is CCCC(CCC)Nc1cnno1.
What is the InChIKey of N-heptan-4-yloxadiazol-5-amine?
The InChIKey is TZBPUQAQJUHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-5-8(6-4-2)11-9-7-10-12-13-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-heptan-4-yloxadiazol-5-amine?
N-heptan-4-yloxadiazol-5-amine has a molecular weight of 183.25 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yloxadiazol-5-amine is sourced from PubChem (CID 173144119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).