N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C11H15N5O — CID 103853777

IUPACN-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CCCOCCNc1nccn2cnnc12
InChIInChI=1S/C11H15N5O/c1-2-3-7-17-8-5-13-10-11-15-14-9-16(11)6-4-12-10/h2,4,6,9H,1,3,5,7-8H2,(H,12,13)
InChIKeyMNUYZSXJDHTUJU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.13
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 103853777) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID103853777
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC=CCCOCCNc1nccn2cnnc12
InChIInChI=1S/C11H15N5O/c1-2-3-7-17-8-5-13-10-11-15-14-9-16(11)6-4-12-10/h2,4,6,9H,1,3,5,7-8H2,(H,12,13)
InChIKeyMNUYZSXJDHTUJU-UHFFFAOYSA-N
XLogP1.13
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-but-3-enoxyethyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113338962
N-(3-chloropropyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65030166
N-(2-but-3-enoxyethyl)-3-chloropyrazin-2-amine
CID 106405847
2-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394208
N-(4-methoxy-2,2-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104624030
N-(5-methylsulfanylpentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 104925632
N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710800
N-(2-but-3-enoxyethyl)isoquinolin-1-amine
CID 106405181
3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
CID 103710809
2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-ol
CID 103858577
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245589

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 103853777) is N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C=CCCOCCNc1nccn2cnnc12.
What is the InChIKey of N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is MNUYZSXJDHTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-3-7-17-8-5-13-10-11-15-14-9-16(11)6-4-12-10/h2,4,6,9H,1,3,5,7-8H2,(H,12,13).
What are the key properties of N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 233.27 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 103853777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).