[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine

C12H17N5 — CID 35754974

IUPAC[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine
SMILESCc1ccc(CCc2nnc(NN)n2C)cc1
InChIInChI=1S/C12H17N5/c1-9-3-5-10(6-4-9)7-8-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyCIPTVXHGJJQWPV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.19
Rot. Bonds4

About [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine

[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754974) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754974
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine
SMILESCc1ccc(CCc2nnc(NN)n2C)cc1
InChIInChI=1S/C12H17N5/c1-9-3-5-10(6-4-9)7-8-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16)
InChIKeyCIPTVXHGJJQWPV-UHFFFAOYSA-N
XLogP1.19
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]hydrazine
CID 35754994
[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754979
3-(bromomethyl)-5-[2-(4-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 113302336
7-methyl-3-[2-(4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
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1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453
2-(4-methylphenyl)ethylthiourea
CID 23143314
N,N-dimethyl-4-[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]aniline
CID 11522389
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine (CID 35754974) is [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine is Cc1ccc(CCc2nnc(NN)n2C)cc1.
What is the InChIKey of [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is CIPTVXHGJJQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-3-5-10(6-4-9)7-8-11-15-16-12(14-13)17(11)2/h3-6H,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine?
[4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 231.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).