N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine

C8H14N4 — CID 130615032

IUPACN,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
SMILESC=C(C)CN(C)c1nncn1C
InChIInChI=1S/C8H14N4/c1-7(2)5-11(3)8-10-9-6-12(8)4/h6H,1,5H2,2-4H3
InChIKeyCWQIGKYNRHPLGH-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.83
Rot. Bonds3

About N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine

N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine (PubChem CID 130615032) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
PubChem CID130615032
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
SMILESC=C(C)CN(C)c1nncn1C
InChIInChI=1S/C8H14N4/c1-7(2)5-11(3)8-10-9-6-12(8)4/h6H,1,5H2,2-4H3
InChIKeyCWQIGKYNRHPLGH-UHFFFAOYSA-N
XLogP0.83
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine (CID 130615032) is N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine is C=C(C)CN(C)c1nncn1C.
What is the InChIKey of N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The InChIKey is CWQIGKYNRHPLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(2)5-11(3)8-10-9-6-12(8)4/h6H,1,5H2,2-4H3.
What are the key properties of N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130615032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).