[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine

C13H20N6 — CID 107066767

IUPAC[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2nnn(C)n2)NN)cc1
InChIInChI=1S/C13H20N6/c1-10-3-5-11(6-4-10)7-8-12(15-14)9-13-16-18-19(2)17-13/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyHCTOLMLGJFQWDU-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.53
Rot. Bonds6

About [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine

[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine (PubChem CID 107066767) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
PubChem CID107066767
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2nnn(C)n2)NN)cc1
InChIInChI=1S/C13H20N6/c1-10-3-5-11(6-4-10)7-8-12(15-14)9-13-16-18-19(2)17-13/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyHCTOLMLGJFQWDU-UHFFFAOYSA-N
XLogP0.53
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(furan-2-yl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066795
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
[5-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-yl]hydrazine
CID 107066112
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
[4-cyclopentyl-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066854
[1-(2-methyltetrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 107066017
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
1-(2-methyltetrazol-5-yl)-N-propyl-4-pyridin-4-ylbutan-2-amine
CID 107065461
[4-(4-methylphenyl)-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105323315
2-[(4-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045075
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine (CID 107066767) is [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine is Cc1ccc(CCC(Cc2nnn(C)n2)NN)cc1.
What is the InChIKey of [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine?
The InChIKey is HCTOLMLGJFQWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-3-5-11(6-4-10)7-8-12(15-14)9-13-16-18-19(2)17-13/h3-6,12,15H,7-9,14H2,1-2H3.
What are the key properties of [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine?
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine has a molecular weight of 260.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 107066767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).