[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

C16H25N5 — CID 105317282

IUPAC[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2ncnn2C(C)C)NN)cc1
InChIInChI=1S/C16H25N5/c1-12(2)21-16(18-11-19-21)10-15(20-17)9-8-14-6-4-13(3)5-7-14/h4-7,11-12,15,20H,8-10,17H2,1-3H3
InChIKeyKVWPBSZNOIOKDX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.17
Rot. Bonds7

About [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (PubChem CID 105317282) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
PubChem CID105317282
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCc1ccc(CCC(Cc2ncnn2C(C)C)NN)cc1
InChIInChI=1S/C16H25N5/c1-12(2)21-16(18-11-19-21)10-15(20-17)9-8-14-6-4-13(3)5-7-14/h4-7,11-12,15,20H,8-10,17H2,1-3H3
InChIKeyKVWPBSZNOIOKDX-UHFFFAOYSA-N
XLogP2.17
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.17
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-(3-methylphenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209011
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[4-(4-methylphenyl)-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105323315
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
[1-(2,4-dichlorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105200215
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[4-(4-methylphenyl)-1-(2-methyltetrazol-5-yl)butan-2-yl]hydrazine
CID 107066767
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105107794
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105216212
N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105160457

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (CID 105317282) is [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is Cc1ccc(CCC(Cc2ncnn2C(C)C)NN)cc1.
What is the InChIKey of [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is KVWPBSZNOIOKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)21-16(18-11-19-21)10-15(20-17)9-8-14-6-4-13(3)5-7-14/h4-7,11-12,15,20H,8-10,17H2,1-3H3.
What are the key properties of [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
[4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 287.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105317282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).