(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole

C9H15N3 — CID 153347216

IUPAC(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole
SMILESC/C=c1\c(=C/C(C)C)nnn1C
InChIInChI=1S/C9H15N3/c1-5-9-8(6-7(2)3)10-11-12(9)4/h5-7H,1-4H3/b8-6+,9-5+
InChIKeyWTLQIPBCABAOBT-RFSWUZDDSA-N
MW165.24 g/mol
LogP0.05
Rot. Bonds1

About (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole

(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole (PubChem CID 153347216) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole.

Molecular Properties

Compound Name(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole
PubChem CID153347216
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole
SMILESC/C=c1\c(=C/C(C)C)nnn1C
InChIInChI=1S/C9H15N3/c1-5-9-8(6-7(2)3)10-11-12(9)4/h5-7H,1-4H3/b8-6+,9-5+
InChIKeyWTLQIPBCABAOBT-RFSWUZDDSA-N
XLogP0.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-(2-methyl-5-methylazanidylcyclopenta-1,4-dien-1-yl)azanide
CID 58399761
3,7-dimethyl-5H-benzotriazol-5-ide;yttrium
CID 59708823
1,5-dimethyl-5H-cyclohepta[d]triazole
CID 129255439
(4E)-1-methyl-5-methylidene-4-[(E)-3,4,4-trimethylpent-2-enylidene]triazole
CID 166786115

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole?
The IUPAC name of (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole (CID 153347216) is (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole.
What is the SMILES notation for (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole?
The canonical SMILES for (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole is C/C=c1\c(=C/C(C)C)nnn1C.
What is the InChIKey of (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole?
The InChIKey is WTLQIPBCABAOBT-RFSWUZDDSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-9-8(6-7(2)3)10-11-12(9)4/h5-7H,1-4H3/b8-6+,9-5+.
What are the key properties of (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole?
(4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole has a molecular weight of 165.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-ethylidene-1-methyl-4-(2-methylpropylidene)triazole is sourced from PubChem (CID 153347216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).