1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine

C10H18N4 — CID 116660609

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ncnn1CC)NC
InChIInChI=1S/C10H18N4/c1-4-6-9(11-3)7-10-12-8-13-14(10)5-2/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyZNYBTZQZOFRCNF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.00
Rot. Bonds6

About 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine

1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine (PubChem CID 116660609) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
PubChem CID116660609
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine
SMILESC=CCC(Cc1ncnn1CC)NC
InChIInChI=1S/C10H18N4/c1-4-6-9(11-3)7-10-12-8-13-14(10)5-2/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyZNYBTZQZOFRCNF-UHFFFAOYSA-N
XLogP1.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.00
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

1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
CID 116660545
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylheptan-2-amine
CID 105002201
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225793
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105161839
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
1-cyclooctyl-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 80603042
3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-N,3-N,3-N-trimethylpentane-2,3-diamine
CID 79062167
3-ethoxy-3-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpentan-2-amine
CID 116759933

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine (CID 116660609) is 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine is C=CCC(Cc1ncnn1CC)NC.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine?
The InChIKey is ZNYBTZQZOFRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-6-9(11-3)7-10-12-8-13-14(10)5-2/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-N-methylpent-4-en-2-amine is sourced from PubChem (CID 116660609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).