4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine

C8H14N4 — CID 114475564

IUPAC4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cn[nH]n1
InChIInChI=1S/C8H14N4/c1-6(2)3-4-7(9)8-5-10-12-11-8/h5,7H,1,3-4,9H2,2H3,(H,10,11,12)
InChIKeyVIVWZJVNNMFBIH-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.16
Rot. Bonds4

About 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine

4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine (PubChem CID 114475564) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
PubChem CID114475564
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)c1cn[nH]n1
InChIInChI=1S/C8H14N4/c1-6(2)3-4-7(9)8-5-10-12-11-8/h5,7H,1,3-4,9H2,2H3,(H,10,11,12)
InChIKeyVIVWZJVNNMFBIH-UHFFFAOYSA-N
XLogP1.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
CID 105254737
N,4-dimethyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475565
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-4-en-1-amine
CID 105182629
ethyl (3S)-3-amino-3-(2H-triazol-4-yl)propanoate
CID 86758025
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-one
CID 114473680
3-amino-3-(2H-triazol-4-yl)propanenitrile
CID 90050590
1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
CID 114475839
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
1-(3,5-difluorophenyl)-4-methylpent-4-en-1-amine
CID 114474387
4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
CID 153072522
4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
CID 114475513
4-(dimethoxymethyl)-2H-triazole
CID 134836838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine (CID 114475564) is 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine is C=C(C)CCC(N)c1cn[nH]n1.
What is the InChIKey of 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine?
The InChIKey is VIVWZJVNNMFBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)3-4-7(9)8-5-10-12-11-8/h5,7H,1,3-4,9H2,2H3,(H,10,11,12).
What are the key properties of 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine?
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine has a molecular weight of 166.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine is sourced from PubChem (CID 114475564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).