N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine

C9H13N5O — CID 75440275

IUPACN-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
SMILESCOCCCNc1cncc2ncnn12
InChIInChI=1S/C9H13N5O/c1-15-4-2-3-11-8-5-10-6-9-12-7-13-14(8)9/h5-7,11H,2-4H2,1H3
InChIKeyUMQMZVFXTMMLJX-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.57
Rot. Bonds5

About N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine

N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine (PubChem CID 75440275) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
PubChem CID75440275
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
SMILESCOCCCNc1cncc2ncnn12
InChIInChI=1S/C9H13N5O/c1-15-4-2-3-11-8-5-10-6-9-12-7-13-14(8)9/h5-7,11H,2-4H2,1H3
InChIKeyUMQMZVFXTMMLJX-UHFFFAOYSA-N
XLogP0.57
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-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-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine (CID 75440275) is N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine is COCCCNc1cncc2ncnn12.
What is the InChIKey of N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The InChIKey is UMQMZVFXTMMLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-4-2-3-11-8-5-10-6-9-12-7-13-14(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine has a molecular weight of 207.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-[1,2,4]triazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 75440275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).