[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine

C16H23N5 — CID 106831373

IUPAC[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
SMILESCC1(C(NN)c2cnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N5/c1-16(10-6-3-7-11-16)15(19-17)14-12-18-20-21(14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15,19H,3,6-7,10-11,17H2,1H3
InChIKeyYQTAYHYLTCADMH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds4

About [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine

[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine (PubChem CID 106831373) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
PubChem CID106831373
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
SMILESCC1(C(NN)c2cnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N5/c1-16(10-6-3-7-11-16)15(19-17)14-12-18-20-21(14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15,19H,3,6-7,10-11,17H2,1H3
InChIKeyYQTAYHYLTCADMH-UHFFFAOYSA-N
XLogP2.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
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

[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
CID 114689286
[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
[(2-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 107194806
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
1-(3-phenyltriazol-4-yl)heptylhydrazine
CID 105337463
[(3-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105210469
1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
CID 114684542

Frequently Asked Questions

What is the IUPAC name of [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine (CID 106831373) is [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine is CC1(C(NN)c2cnnn2-c2ccccc2)CCCCC1.
What is the InChIKey of [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The InChIKey is YQTAYHYLTCADMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(10-6-3-7-11-16)15(19-17)14-12-18-20-21(14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15,19H,3,6-7,10-11,17H2,1H3.
What are the key properties of [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine has a molecular weight of 285.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 106831373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).