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

C11H20N4 — CID 10584505

IUPAC5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine
SMILESC=C(C(C)C)n1nc(N(C)C)nc1CC
InChIInChI=1S/C11H20N4/c1-7-10-12-11(14(5)6)13-15(10)9(4)8(2)3/h8H,4,7H2,1-3,5-6H3
InChIKeyNLDJATCLOPPQOS-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.03
Rot. Bonds4

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

5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine (PubChem CID 10584505) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine
PubChem CID10584505
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine
SMILESC=C(C(C)C)n1nc(N(C)C)nc1CC
InChIInChI=1S/C11H20N4/c1-7-10-12-11(14(5)6)13-15(10)9(4)8(2)3/h8H,4,7H2,1-3,5-6H3
InChIKeyNLDJATCLOPPQOS-UHFFFAOYSA-N
XLogP2.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine with MolForge

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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
1-(3,3-dimethylbut-1-en-2-yl)-5-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
CID 10704284
4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-[(3E)-hexa-1,3,5-trien-3-yl]-N,N-dimethyl-1,2,4-triazol-3-amine
CID 143333575
N-[(1E)-1-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)buta-1,3-dienyl]methanimine
CID 161104893
3-Cyclopropyl-1-(3-methylbuta-1,3-dien-2-yl)-5-prop-1-en-2-yl-1,2,4-triazole
CID 170968345

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine (CID 10584505) is 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine is C=C(C(C)C)n1nc(N(C)C)nc1CC.
What is the InChIKey of 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is NLDJATCLOPPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7-10-12-11(14(5)6)13-15(10)9(4)8(2)3/h8H,4,7H2,1-3,5-6H3.
What are the key properties of 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine?
5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethyl-1-(3-methylbut-1-en-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 10584505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).