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

C7H10N4 — CID 163874071

IUPACN-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
SMILESC=Cc1nnc(CC)n1N=C
InChIInChI=1S/C7H10N4/c1-4-6-9-10-7(5-2)11(6)8-3/h4H,1,3,5H2,2H3
InChIKeyPNIAQRSMVAIHQJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.95
Rot. Bonds3

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

N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 163874071) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID163874071
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC NameN-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
SMILESC=Cc1nnc(CC)n1N=C
InChIInChI=1S/C7H10N4/c1-4-6-9-10-7(5-2)11(6)8-3/h4H,1,3,5H2,2H3
InChIKeyPNIAQRSMVAIHQJ-UHFFFAOYSA-N
XLogP0.95
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.95
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

3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-Ethenyl-5-methyl-1,2-diaza-4-azanidacyclopenta-2,5-diene;tungsten;tungsten(2+)
CID 58904784
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
3-Ethenyl-1,5-dimethyl-1,2,4-triazole
CID 129222124
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
5-Ethenyl-1,3-dimethyl-1,2,4-triazole
CID 143191750
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
N-[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 146262226

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine (CID 163874071) is N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine is C=Cc1nnc(CC)n1N=C.
What is the InChIKey of N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is PNIAQRSMVAIHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-6-9-10-7(5-2)11(6)8-3/h4H,1,3,5H2,2H3.
What are the key properties of N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine?
N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 150.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 163874071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).