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

C10H18N4 — CID 165134602

IUPACethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
SMILESC=Cc1nc(C(C)C)nn1N=C.CC
InChIInChI=1S/C8H12N4.C2H6/c1-5-7-10-8(6(2)3)11-12(7)9-4;1-2/h5-6H,1,4H2,2-3H3;1-2H3
InChIKeyILVLSSWDKPUTRI-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.53
Rot. Bonds3

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

ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine (PubChem CID 165134602) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
PubChem CID165134602
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Nameethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
SMILESC=Cc1nc(C(C)C)nn1N=C.CC
InChIInChI=1S/C8H12N4.C2H6/c1-5-7-10-8(6(2)3)11-12(7)9-4;1-2/h5-6H,1,4H2,2-3H3;1-2H3
InChIKeyILVLSSWDKPUTRI-UHFFFAOYSA-N
XLogP2.53
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.53
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

(Z)-N-ethyl-1-(5-ethyl-1,2,4-triazol-1-yl)but-2-en-1-imine
CID 132109342
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
N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
CID 163874071
1,5-Bis(ethenyl)-3-propan-2-yl-1,2,4-triazole;ethane
CID 165134545
8-Propan-2-yl-3lambda3-ioda-1,2,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CID 165134611
ethane;(Z)-N-(5-ethenyl-3-methyl-1,2,4-triazol-1-yl)butan-2-imine
CID 168262274

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The IUPAC name of ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine (CID 165134602) is ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine.
What is the SMILES notation for ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The canonical SMILES for ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine is C=Cc1nc(C(C)C)nn1N=C.CC.
What is the InChIKey of ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
The InChIKey is ILVLSSWDKPUTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C2H6/c1-5-7-10-8(6(2)3)11-12(7)9-4;1-2/h5-6H,1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine?
ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine has a molecular weight of 194.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine is sourced from PubChem (CID 165134602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).