ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine

C11H20N4 — CID 143479693

IUPACethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
SMILESC=Cc1nnc(C)n1/N=C(/C)CC.CC
InChIInChI=1S/C9H14N4.C2H6/c1-5-7(3)12-13-8(4)10-11-9(13)6-2;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b12-7-;
InChIKeyXGWSGRHCPOFWBN-OZLKFZLXSA-N
MW208.31 g/mol
LogP2.89
Rot. Bonds3

About ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine

ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine (PubChem CID 143479693) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
PubChem CID143479693
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Nameethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
SMILESC=Cc1nnc(C)n1/N=C(/C)CC.CC
InChIInChI=1S/C9H14N4.C2H6/c1-5-7(3)12-13-8(4)10-11-9(13)6-2;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b12-7-;
InChIKeyXGWSGRHCPOFWBN-OZLKFZLXSA-N
XLogP2.89
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.89
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

5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
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
N-(3-ethenyl-5-ethyl-1,2,4-triazol-4-yl)methanimine
CID 163874071
ethane;N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
CID 165134602
ethane;(Z)-N-(5-ethenyl-3-methyl-1,2,4-triazol-1-yl)butan-2-imine
CID 168262274
5-Ethenyl-1-iodo-3-pentyl-1,2,4-triazole
CID 169098136
Ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole
CID 171542093
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)butan-2-imine
CID 133631905
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)pentan-2-imine
CID 133678928
(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine
CID 143479694
N-(5-ethenyl-3-propan-2-yl-1,2,4-triazol-1-yl)methanimine
CID 165134603

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The IUPAC name of ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine (CID 143479693) is ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine.
What is the SMILES notation for ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The canonical SMILES for ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine is C=Cc1nnc(C)n1/N=C(/C)CC.CC.
What is the InChIKey of ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
The InChIKey is XGWSGRHCPOFWBN-OZLKFZLXSA-N. The full InChI is InChI=1S/C9H14N4.C2H6/c1-5-7(3)12-13-8(4)10-11-9(13)6-2;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b12-7-;.
What are the key properties of ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine?
ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine has a molecular weight of 208.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(3-ethenyl-5-methyl-1,2,4-triazol-4-yl)butan-2-imine is sourced from PubChem (CID 143479693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).