1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

C10H11N5 — CID 70499449

IUPAC1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESC=CCn1nc(N)nc1-c1cccnc1
InChIInChI=1S/C10H11N5/c1-2-6-15-9(13-10(11)14-15)8-4-3-5-12-7-8/h2-5,7H,1,6H2,(H2,11,14)
InChIKeyQZPWTAYAEBSWNU-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.11
Rot. Bonds3

About 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine

1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 70499449) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID70499449
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESC=CCn1nc(N)nc1-c1cccnc1
InChIInChI=1S/C10H11N5/c1-2-6-15-9(13-10(11)14-15)8-4-3-5-12-7-8/h2-5,7H,1,6H2,(H2,11,14)
InChIKeyQZPWTAYAEBSWNU-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
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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Related Compounds

2-methyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62224002
1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
CID 83969024
3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62223980
3-(5-methyl-1-prop-2-enylpyrrol-2-yl)pyridine
CID 91672118
2-cyclopropyl-3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62220582
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
2-[[benzyl(prop-2-enyl)amino]methyl]-4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 78857897
4-prop-2-enyl-2-[(4-prop-2-ynylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione
CID 78849024
cyclopenta[c]azepine
CID 638010
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
3-azulen-6-ylpyridine
CID 86232079
4-methyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
CID 14045777

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine (CID 70499449) is 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is C=CCn1nc(N)nc1-c1cccnc1.
What is the InChIKey of 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is QZPWTAYAEBSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-6-15-9(13-10(11)14-15)8-4-3-5-12-7-8/h2-5,7H,1,6H2,(H2,11,14).
What are the key properties of 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine?
1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 201.23 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 1-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 70499449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).