2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine

C10H18N4 — CID 102640345

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)Cc1ncnn1CC
InChIInChI=1S/C10H18N4/c1-4-10(3,7-11)6-9-12-8-13-14(9)5-2/h4,8H,1,5-7,11H2,2-3H3
InChIKeyQHWGNBRNOVSPHW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds5

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine (PubChem CID 102640345) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
PubChem CID102640345
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CN)Cc1ncnn1CC
InChIInChI=1S/C10H18N4/c1-4-10(3,7-11)6-9-12-8-13-14(9)5-2/h4,8H,1,5-7,11H2,2-3H3
InChIKeyQHWGNBRNOVSPHW-UHFFFAOYSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102640312
5-(3-bromo-2,2-dimethylpropyl)-1-ethyl-1,2,4-triazole
CID 66048181
2-methyl-N-(2-methylpropyl)-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]but-3-en-1-amine
CID 102641469
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
methyl 2-(aminomethyl)-2-cyclopropyl-3-(2-ethyl-1,2,4-triazol-3-yl)propanoate
CID 106489512
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488249
2-(aminomethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506110
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83160201
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
CID 116660609
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2-ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312559

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine (CID 102640345) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine is C=CC(C)(CN)Cc1ncnn1CC.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine?
The InChIKey is QHWGNBRNOVSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-10(3,7-11)6-9-12-8-13-14(9)5-2/h4,8H,1,5-7,11H2,2-3H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).