(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole

C12H19N3 — CID 166786115

IUPAC(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole
SMILESC=c1/c(=C\C=C(/C)C(C)(C)C)nnn1C
InChIInChI=1S/C12H19N3/c1-9(12(3,4)5)7-8-11-10(2)15(6)14-13-11/h7-8H,2H2,1,3-6H3/b9-7+,11-8+
InChIKeyWQRMOLCRADWYNJ-BIZFVBGRSA-N
MW205.30 g/mol
LogP1.00
Rot. Bonds1

About (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole

(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole (PubChem CID 166786115) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole.

Molecular Properties

Compound Name(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole
PubChem CID166786115
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole
SMILESC=c1/c(=C\C=C(/C)C(C)(C)C)nnn1C
InChIInChI=1S/C12H19N3/c1-9(12(3,4)5)7-8-11-10(2)15(6)14-13-11/h7-8H,2H2,1,3-6H3/b9-7+,11-8+
InChIKeyWQRMOLCRADWYNJ-BIZFVBGRSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole?
The IUPAC name of (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole (CID 166786115) is (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole.
What is the SMILES notation for (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole?
The canonical SMILES for (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole is C=c1/c(=C\C=C(/C)C(C)(C)C)nnn1C.
What is the InChIKey of (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole?
The InChIKey is WQRMOLCRADWYNJ-BIZFVBGRSA-N. The full InChI is InChI=1S/C12H19N3/c1-9(12(3,4)5)7-8-11-10(2)15(6)14-13-11/h7-8H,2H2,1,3-6H3/b9-7+,11-8+.
What are the key properties of (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole?
(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole has a molecular weight of 205.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole is sourced from PubChem (CID 166786115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).