(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole

C14H21N5 — CID 143020150

IUPAC(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole
SMILESC=CC1=C(/N=C\CCC)NCC=C1.Cn1cncn1
InChIInChI=1S/C11H16N2.C3H5N3/c1-3-5-8-12-11-10(4-2)7-6-9-13-11;1-6-3-4-2-5-6/h4,6-8,13H,2-3,5,9H2,1H3;2-3H,1H3/b12-8-;
InChIKeyQSKHQPNJJVXPFM-JCTPKUEWSA-N
MW259.36 g/mol
LogP2.23
Rot. Bonds4

About (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole

(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole (PubChem CID 143020150) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole
PubChem CID143020150
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole
SMILESC=CC1=C(/N=C\CCC)NCC=C1.Cn1cncn1
InChIInChI=1S/C11H16N2.C3H5N3/c1-3-5-8-12-11-10(4-2)7-6-9-13-11;1-6-3-4-2-5-6/h4,6-8,13H,2-3,5,9H2,1H3;2-3H,1H3/b12-8-;
InChIKeyQSKHQPNJJVXPFM-JCTPKUEWSA-N
XLogP2.23
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[1-(1,2,4-triazol-4-yl)-2H-pyridin-5-yl]methanimine
CID 125502377
(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine
CID 143413627

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole?
The IUPAC name of (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole (CID 143020150) is (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole.
What is the SMILES notation for (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole?
The canonical SMILES for (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole is C=CC1=C(/N=C\CCC)NCC=C1.Cn1cncn1.
What is the InChIKey of (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole?
The InChIKey is QSKHQPNJJVXPFM-JCTPKUEWSA-N. The full InChI is InChI=1S/C11H16N2.C3H5N3/c1-3-5-8-12-11-10(4-2)7-6-9-13-11;1-6-3-4-2-5-6/h4,6-8,13H,2-3,5,9H2,1H3;2-3H,1H3/b12-8-;.
What are the key properties of (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole?
(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole has a molecular weight of 259.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 143020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).