6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine

C11H20N4 — CID 123369821

IUPAC6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine
SMILESCC1=C(CC=C=CC(C)N)N(C)NN1C
InChIInChI=1S/C11H20N4/c1-9(12)7-5-6-8-11-10(2)14(3)13-15(11)4/h6-7,9,13H,8,12H2,1-4H3
InChIKeyUTUNXDYQASUECS-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.96
Rot. Bonds3

About 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine

6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine (PubChem CID 123369821) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine.

Molecular Properties

Compound Name6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine
PubChem CID123369821
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine
SMILESCC1=C(CC=C=CC(C)N)N(C)NN1C
InChIInChI=1S/C11H20N4/c1-9(12)7-5-6-8-11-10(2)14(3)13-15(11)4/h6-7,9,13H,8,12H2,1-4H3
InChIKeyUTUNXDYQASUECS-UHFFFAOYSA-N
XLogP0.96
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-Trimethyl-1,5-dihydropyrazole
CID 59073866
5-(2-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
CID 66645365
3,5-dimethyl-1-propan-2-yl-3H-pyrazole-2,4-diamine
CID 70572818
2-Butyl-3,5-dimethyl-1,5-dihydropyrazole
CID 132182743
3-Tert-butyl-2-methyl-1,5-dihydropyrazole
CID 135303169
3-Tert-butyl-5-ethenyl-2-methyl-1,5-dihydropyrazole
CID 138580307
Ethane;2,3,5-trimethyl-1,5-dihydropyrazole
CID 141910904
(5S)-2,3,5-trimethyl-1,5-dihydropyrazole
CID 143502038
3,5-Dimethyl-2-propyl-1,5-dihydropyrazole;ethane
CID 144473904
3,5-Diethyl-2-methyl-1,3-dihydropyrazole
CID 152444575
5-(1-aminoethyl)-1,3-dimethyl-3H-pyrazole-2,4-diamine
CID 154399109
2,5-Diethyl-3-methyl-1,5-dihydropyrazole
CID 156877119

Frequently Asked Questions

What is the IUPAC name of 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine?
The IUPAC name of 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine (CID 123369821) is 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine.
What is the SMILES notation for 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine?
The canonical SMILES for 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine is CC1=C(CC=C=CC(C)N)N(C)NN1C.
What is the InChIKey of 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine?
The InChIKey is UTUNXDYQASUECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(12)7-5-6-8-11-10(2)14(3)13-15(11)4/h6-7,9,13H,8,12H2,1-4H3.
What are the key properties of 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine?
6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine has a molecular weight of 208.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3,5-trimethyl-2H-triazol-4-yl)hexa-3,4-dien-2-amine is sourced from PubChem (CID 123369821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).