[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

C16H23N5 — CID 105217181

IUPAC[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)21-15(18-11-19-21)10-14(20-17)16(8-9-16)13-6-4-3-5-7-13/h3-7,11-12,14,20H,8-10,17H2,1-2H3
InChIKeyQTUQIJRHSAPVNO-UHFFFAOYSA-N
MW285.40 g/mol
LogP1.97
Rot. Bonds6

About [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105217181) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105217181
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCC(C)n1ncnc1CC(NN)C1(c2ccccc2)CC1
InChIInChI=1S/C16H23N5/c1-12(2)21-15(18-11-19-21)10-14(20-17)16(8-9-16)13-6-4-3-5-7-13/h3-7,11-12,14,20H,8-10,17H2,1-2H3
InChIKeyQTUQIJRHSAPVNO-UHFFFAOYSA-N
XLogP1.97
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.97
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

[2-(1-methylimidazol-2-yl)-1-(1-phenylcyclobutyl)ethyl]hydrazine
CID 105217412
[1-(1-methoxy-4-methylcyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105277166
[3-methyl-1-(1-phenylcyclopropyl)butyl]hydrazine
CID 105217001
[1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105279144
[1-(4,4-difluorocyclohexyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317373
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
[2-(5-ethyl-2-pyridinyl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217056
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[2-(furan-3-yl)-1-(1-phenylcyclopropyl)ethyl]hydrazine
CID 105217093
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
4-[2-hydrazinyl-2-(1-phenylcyclopropyl)ethyl]pyridin-2-amine
CID 105217114

Frequently Asked Questions

What is the IUPAC name of [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105217181) is [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is CC(C)n1ncnc1CC(NN)C1(c2ccccc2)CC1.
What is the InChIKey of [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is QTUQIJRHSAPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21-15(18-11-19-21)10-14(20-17)16(8-9-16)13-6-4-3-5-7-13/h3-7,11-12,14,20H,8-10,17H2,1-2H3.
What are the key properties of [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 285.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-phenylcyclopropyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105217181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).