N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine

C9H16N4 — CID 116660545

IUPACN-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1ncnn1C)NC
InChIInChI=1S/C9H16N4/c1-4-5-8(10-2)6-9-11-7-12-13(9)3/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyOEHBAWXLRMYLIA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.52
Rot. Bonds5

About N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine

N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine (PubChem CID 116660545) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
PubChem CID116660545
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1ncnn1C)NC
InChIInChI=1S/C9H16N4/c1-4-5-8(10-2)6-9-11-7-12-13(9)3/h4,7-8,10H,1,5-6H2,2-3H3
InChIKeyOEHBAWXLRMYLIA-UHFFFAOYSA-N
XLogP0.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.52
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)-N-methylpent-4-en-2-amine
CID 116660609
N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
CID 116660539
1-(2-ethyl-1,2,4-triazol-3-yl)pent-4-en-2-ylhydrazine
CID 105269736
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylpent-4-en-2-amine
CID 116660558
N-methyl-1-(2-methylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159617
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
N-methyl-3-methylsulfonyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 104997856
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
1-(2,6-dimethylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114027109

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine (CID 116660545) is N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine is C=CCC(Cc1ncnn1C)NC.
What is the InChIKey of N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine?
The InChIKey is OEHBAWXLRMYLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-4-5-8(10-2)6-9-11-7-12-13(9)3/h4,7-8,10H,1,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine?
N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pent-4-en-2-amine is sourced from PubChem (CID 116660545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).