(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine

C14H20N4 — CID 143342785

IUPAC(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
SMILESC=C(/C=C(/C(=C)C)n1ncnc1C)C(=C)NCC
InChIInChI=1S/C14H20N4/c1-7-15-12(5)11(4)8-14(10(2)3)18-13(6)16-9-17-18/h8-9,15H,2,4-5,7H2,1,3,6H3/b14-8-
InChIKeyUSLOEMIERHTOGK-ZSOIEALJSA-N
MW244.34 g/mol
LogP2.68
Rot. Bonds6

About (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine

(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine (PubChem CID 143342785) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
PubChem CID143342785
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
SMILESC=C(/C=C(/C(=C)C)n1ncnc1C)C(=C)NCC
InChIInChI=1S/C14H20N4/c1-7-15-12(5)11(4)8-14(10(2)3)18-13(6)16-9-17-18/h8-9,15H,2,4-5,7H2,1,3,6H3/b14-8-
InChIKeyUSLOEMIERHTOGK-ZSOIEALJSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-7-methyl-8-(5-methyl-1,2,4-triazol-1-yl)-1H-quinoline
CID 67640291
5-(1-Methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 23052456
3,7-dichloro-7-methyl-8-(5-methyl-1,2,4-triazol-1-yl)-1H-quinoline
CID 67640895
7-chloro-7-methyl-8-(5-methyl-1,2,4-triazol-1-yl)-1H-quinoline
CID 67641406
(Z)-N,3-dimethyl-N-(3-methylbut-1-en-2-yl)-4-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
CID 130450433
(1E)-2-methyl-1-N-(1-methylcyclopropyl)-1-(methylideneamino)-4-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3-propan-2-ylidenepenta-1,4-diene-1,4-diamine
CID 138665854
5-(2,5-Dimethyl-1,2,4-triazol-3-yl)-3-ethyl-6-methyl-1,2-dihydropyridine
CID 141127060
N-tert-butyl-6-(4-methyl-1,2,4-triazol-3-yl)cyclohepta-1,4,6-trien-1-amine
CID 143181223
(2E,4Z,7Z)-N-[(E)-but-1-enyl]-9-imino-6-methylidene-9-(1,2,4-triazol-1-yl)nona-2,4,7-trien-5-amine;ethane
CID 143915077
N-methyl-5-(1,2,4-triazol-1-ylmethyl)cyclohepta-1,4,6-trien-1-amine
CID 144055284
(Z)-3-[2-[(Z)-but-2-en-2-yl]-1,2,4-triazol-3-yl]-N-methylprop-2-en-1-amine
CID 156423982
2-[4-(1-Methyl-1,2,4-triazol-3-yl)cyclohexa-1,5-dien-1-yl]ethanamine
CID 158405439

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine (CID 143342785) is (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine is C=C(/C=C(/C(=C)C)n1ncnc1C)C(=C)NCC.
What is the InChIKey of (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine?
The InChIKey is USLOEMIERHTOGK-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H20N4/c1-7-15-12(5)11(4)8-14(10(2)3)18-13(6)16-9-17-18/h8-9,15H,2,4-5,7H2,1,3,6H3/b14-8-.
What are the key properties of (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine?
(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine is sourced from PubChem (CID 143342785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).