[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine

C8H15N5 — CID 105254737

IUPAC[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cn[nH]n1
InChIInChI=1S/C8H15N5/c1-6(2)3-4-7(11-9)8-5-10-13-12-8/h5,7,11H,1,3-4,9H2,2H3,(H,10,12,13)
InChIKeyYVRWRGUVWVIXLR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.67
Rot. Bonds5

About [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine

[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine (PubChem CID 105254737) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine.

Molecular Properties

Compound Name[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
PubChem CID105254737
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)c1cn[nH]n1
InChIInChI=1S/C8H15N5/c1-6(2)3-4-7(11-9)8-5-10-13-12-8/h5,7,11H,1,3-4,9H2,2H3,(H,10,12,13)
InChIKeyYVRWRGUVWVIXLR-UHFFFAOYSA-N
XLogP0.67
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475565
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475564
[1-(6-methoxypyridazin-3-yl)-4-methylpent-4-enyl]hydrazine
CID 103375492
1-(2H-triazol-4-yl)but-3-ynylhydrazine
CID 105254798
[4-methyl-1-(4-methylphenyl)pent-4-enyl]hydrazine
CID 105194324
[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
[2-phenyl-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254603
[1-(4-iodophenyl)-4-methylpent-4-enyl]hydrazine
CID 105335995
[4-methyl-1-(4-methylquinolin-2-yl)pent-4-enyl]hydrazine
CID 105279669
[2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 107066305
5,5,5-trifluoro-N-methyl-1-(2H-triazol-4-yl)pentan-1-amine
CID 115517484
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-one
CID 114473680

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine?
The IUPAC name of [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine (CID 105254737) is [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine.
What is the SMILES notation for [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine?
The canonical SMILES for [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine is C=C(C)CCC(NN)c1cn[nH]n1.
What is the InChIKey of [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine?
The InChIKey is YVRWRGUVWVIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6(2)3-4-7(11-9)8-5-10-13-12-8/h5,7,11H,1,3-4,9H2,2H3,(H,10,12,13).
What are the key properties of [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine?
[4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine has a molecular weight of 181.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2H-triazol-4-yl)pent-4-enyl]hydrazine is sourced from PubChem (CID 105254737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).