N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine

C8H12N4 — CID 165134603

IUPACN-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
SMILESC=Cc1nc(C(C)C)nn1N=C
InChIInChI=1S/C8H12N4/c1-5-7-10-8(6(2)3)11-12(7)9-4/h5-6H,1,4H2,2-3H3
InChIKeyQQSPYCKVJWKRQZ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.51
Rot. Bonds3

About N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine

N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine (PubChem CID 165134603) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
PubChem CID165134603
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
SMILESC=Cc1nc(C(C)C)nn1N=C
InChIInChI=1S/C8H12N4/c1-5-7-10-8(6(2)3)11-12(7)9-4/h5-6H,1,4H2,2-3H3
InChIKeyQQSPYCKVJWKRQZ-UHFFFAOYSA-N
XLogP1.51
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
(Z)-3-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)prop-2-enimidoyl chloride
CID 89209555
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
CID 143479693
ethane;N-(3-methyl-5-prop-1-en-2-yl-1,2,4-triazol-4-yl)methanimine
CID 144034040
[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-1-yl]methanimine
CID 145675784
N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 146262226
3,4-Bis(ethenyl)-5-propan-2-yl-1,2,4-triazole
CID 153553554
(E)-N-(3-ethenyl-1,2,4-triazol-4-yl)-3-methylbutan-2-imine
CID 155382112
(NZ)-3-bromo-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
CID 156748798
(NZ)-N'-methyl-5-propan-2-yl-N-prop-2-enylidene-1,2,4-triazole-1-carboximidamide
CID 156748802
1-Methyl-3-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
CID 163231941

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The IUPAC name of N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine (CID 165134603) is N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine is C=Cc1nc(C(C)C)nn1N=C.
What is the InChIKey of N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The InChIKey is QQSPYCKVJWKRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-7-10-8(6(2)3)11-12(7)9-4/h5-6H,1,4H2,2-3H3.
What are the key properties of N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine has a molecular weight of 164.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 165134603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).