[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine

C12H23F2N5O — CID 103152003

IUPAC[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
SMILESCC(C)Cn1ncnc1CC(CCOCC(F)F)NN
InChIInChI=1S/C12H23F2N5O/c1-9(2)6-19-12(16-8-17-19)5-10(18-15)3-4-20-7-11(13)14/h8-11,18H,3-7,15H2,1-2H3
InChIKeyMAVPUFWKMYSRAH-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.98
Rot. Bonds10

About [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine (PubChem CID 103152003) has the molecular formula C12H23F2N5O and a molecular weight of 291.35 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
PubChem CID103152003
Molecular FormulaC12H23F2N5O
Molecular Weight291.35 g/mol
Exact Mass291.19
IUPAC Name[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
SMILESCC(C)Cn1ncnc1CC(CCOCC(F)F)NN
InChIInChI=1S/C12H23F2N5O/c1-9(2)6-19-12(16-8-17-19)5-10(18-15)3-4-20-7-11(13)14/h8-11,18H,3-7,15H2,1-2H3
InChIKeyMAVPUFWKMYSRAH-UHFFFAOYSA-N
XLogP0.98
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
4-(2,2-difluoroethoxy)-N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 103149944
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-propoxy-N-propylbutan-2-amine
CID 105160794
N-ethyl-4-(2-methoxyethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 102928376
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214674
[4-methoxy-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105206476
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine (CID 103152003) is [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine is CC(C)Cn1ncnc1CC(CCOCC(F)F)NN.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine?
The InChIKey is MAVPUFWKMYSRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N5O/c1-9(2)6-19-12(16-8-17-19)5-10(18-15)3-4-20-7-11(13)14/h8-11,18H,3-7,15H2,1-2H3.
What are the key properties of [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine has a molecular weight of 291.35 g/mol, XLogP of 0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine is sourced from PubChem (CID 103152003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).