1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

C12H22N4 — CID 10704284

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESC=C(n1nc(N(C)C)nc1CC)C(C)(C)C
InChIInChI=1S/C12H22N4/c1-8-10-13-11(15(6)7)14-16(10)9(2)12(3,4)5/h2,8H2,1,3-7H3
InChIKeyXUQMEGRRBSMGDC-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.42
Rot. Bonds3

About 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 10704284) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID10704284
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESC=C(n1nc(N(C)C)nc1CC)C(C)(C)C
InChIInChI=1S/C12H22N4/c1-8-10-13-11(15(6)7)14-16(10)9(2)12(3,4)5/h2,8H2,1,3-7H3
InChIKeyXUQMEGRRBSMGDC-UHFFFAOYSA-N
XLogP2.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(Z)-1-(3-tert-butyl-5-methyl-1,2,4-triazol-4-yl)-3-methylbut-1-en-2-yl]methanimine
CID 132157790
1-(2-ethenyl-5-propan-2-yl-1,2,4-triazol-3-yl)-N-(3-methylbut-1-en-2-yl)methanimine
CID 170004826
5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine
CID 10584505

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (CID 10704284) is 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is C=C(n1nc(N(C)C)nc1CC)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is XUQMEGRRBSMGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-8-10-13-11(15(6)7)14-16(10)9(2)12(3,4)5/h2,8H2,1,3-7H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 10704284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).