N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C10H13N5 — CID 115663439

IUPACN-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC/C=C/CCNc1nccn2cnnc12
InChIInChI=1S/C10H13N5/c1-2-3-4-5-11-9-10-14-13-8-15(10)7-6-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12)/b3-2+
InChIKeyKASLUYDSBLAQBL-NSCUHMNNSA-N
MW203.25 g/mol
LogP1.50
Rot. Bonds4

About N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 115663439) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID115663439
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC/C=C/CCNc1nccn2cnnc12
InChIInChI=1S/C10H13N5/c1-2-3-4-5-11-9-10-14-13-8-15(10)7-6-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12)/b3-2+
InChIKeyKASLUYDSBLAQBL-NSCUHMNNSA-N
XLogP1.50
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 115663439) is N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C/C=C/CCNc1nccn2cnnc12.
What is the InChIKey of N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is KASLUYDSBLAQBL-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-3-4-5-11-9-10-14-13-8-15(10)7-6-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 203.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 115663439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).