3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole

C7H11N3 — CID 142624300

IUPAC3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1c(C)nnc1C
InChIInChI=1S/C7H11N3/c1-5(2)10-6(3)8-9-7(10)4/h1H2,2-4H3
InChIKeyGDDHTOKZUYXZEJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.39
Rot. Bonds1

About 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole

3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole (PubChem CID 142624300) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
PubChem CID142624300
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1c(C)nnc1C
InChIInChI=1S/C7H11N3/c1-5(2)10-6(3)8-9-7(10)4/h1H2,2-4H3
InChIKeyGDDHTOKZUYXZEJ-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2E)-penta-2,4-dien-2-yl]-5-(trifluoromethyl)-1,2,4-triazole
CID 141951058
3-Ethyl-4-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 163390299
5-Methyl-1-prop-1-en-2-yl-1,2,4-triazole
CID 144376229
N'-(5-methyl-2-prop-1-en-2-yl-1,2,4-triazol-3-yl)ethanimidamide
CID 163513032
1-(3,5-Dimethyl-1,2,4-triazol-4-yl)ethenamine
CID 163552896
3,5-Dimethyl-1-prop-1-en-2-yl-1,2,4-triazole
CID 164110962
3-ethyl-5-methyl-4-[(2E)-penta-2,4-dien-2-yl]-1,2,4-triazole
CID 144853602
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3,5-dimethyl-1,2,4-triazole
CID 153554070

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole (CID 142624300) is 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole is C=C(C)n1c(C)nnc1C.
What is the InChIKey of 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole?
The InChIKey is GDDHTOKZUYXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)10-6(3)8-9-7(10)4/h1H2,2-4H3.
What are the key properties of 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole?
3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-prop-1-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 142624300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).