1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine

C6H10N4 — CID 163552896

IUPAC1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine
SMILESC=C(N)n1c(C)nnc1C
InChIInChI=1S/C6H10N4/c1-4(7)10-5(2)8-9-6(10)3/h1,7H2,2-3H3
InChIKeyFKNXYRDLAJPROD-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.28
Rot. Bonds1

About 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine

1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine (PubChem CID 163552896) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine
PubChem CID163552896
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine
SMILESC=C(N)n1c(C)nnc1C
InChIInChI=1S/C6H10N4/c1-4(7)10-5(2)8-9-6(10)3/h1,7H2,2-3H3
InChIKeyFKNXYRDLAJPROD-UHFFFAOYSA-N
XLogP0.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3,5-dimethyl-1,2,4-triazole
CID 229800
4,5-Dimethyl-4H-1,2,4-triazol-3-amine
CID 12252710
1-(N-Cyanoguanyl)-3,5-dimethyl-1,2,4-triazole
CID 139073666
3,5-Dimethyl-1,2,4-triazol-1-amine
CID 14338436
4-Ethyl-5-methyl-4H-1,2,4-triazol-3-amine
CID 15422056
(3,5-Dimethyl-1,2,4-triazol-4-yl)methanamine
CID 126601322
3,5-Dimethyl-4-prop-1-en-2-yl-1,2,4-triazole
CID 142624300
4-Ethenyl-3,5-dimethyl-1,2,4-triazole
CID 142939028
4,5-Dimethyl-1,2,4-triazol-3-amine;ethane
CID 143643791
3,5-Dimethyl-1,2,4-triazol-1-amine;ethane
CID 169246730
N'-(3,5-dimethyl-1,2,4-triazol-4-yl)ethanimidamide
CID 133665224
4,5-bis(methyl-d3)-4H-1,2,4-triazol-3-amine
CID 172402551

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine (CID 163552896) is 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine is C=C(N)n1c(C)nnc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine?
The InChIKey is FKNXYRDLAJPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4(7)10-5(2)8-9-6(10)3/h1,7H2,2-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine?
1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine has a molecular weight of 138.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazol-4-yl)ethenamine is sourced from PubChem (CID 163552896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).