N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine

C9H11N5 — CID 126986953

IUPACN-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
SMILESC=CC(C)Nc1cncc2ncnn12
InChIInChI=1S/C9H11N5/c1-3-7(2)13-9-5-10-4-8-11-6-12-14(8)9/h3-7,13H,1H2,2H3
InChIKeyLKQYWOXQDPKKAZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.11
Rot. Bonds3

About N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine

N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine (PubChem CID 126986953) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
PubChem CID126986953
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine
SMILESC=CC(C)Nc1cncc2ncnn12
InChIInChI=1S/C9H11N5/c1-3-7(2)13-9-5-10-4-8-11-6-12-14(8)9/h3-7,13H,1H2,2H3
InChIKeyLKQYWOXQDPKKAZ-UHFFFAOYSA-N
XLogP1.11
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine (CID 126986953) is N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine is C=CC(C)Nc1cncc2ncnn12.
What is the InChIKey of N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
The InChIKey is LKQYWOXQDPKKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-3-7(2)13-9-5-10-4-8-11-6-12-14(8)9/h3-7,13H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine?
N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine has a molecular weight of 189.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 126986953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).