[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C9H16F3N5O — CID 107066481

IUPAC[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCn1cc(CC(CCOCC(F)(F)F)NN)nn1
InChIInChI=1S/C9H16F3N5O/c1-17-5-8(15-16-17)4-7(14-13)2-3-18-6-9(10,11)12/h5,7,14H,2-4,6,13H2,1H3
InChIKeyOTXXTRMJGYXESM-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.16
Rot. Bonds7

About [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 107066481) has the molecular formula C9H16F3N5O and a molecular weight of 267.25 g/mol. Its IUPAC name is [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID107066481
Molecular FormulaC9H16F3N5O
Molecular Weight267.25 g/mol
Exact Mass267.13
IUPAC Name[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCn1cc(CC(CCOCC(F)(F)F)NN)nn1
InChIInChI=1S/C9H16F3N5O/c1-17-5-8(15-16-17)4-7(14-13)2-3-18-6-9(10,11)12/h5,7,14H,2-4,6,13H2,1H3
InChIKeyOTXXTRMJGYXESM-UHFFFAOYSA-N
XLogP0.16
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.16
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-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
1-(2,2,2-trifluoroethoxy)pentan-3-ylhydrazine
CID 103151464
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
[4-methyl-1-(1-methyltriazol-4-yl)hexan-2-yl]hydrazine
CID 107066542
[1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151746
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 107066481) is [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is Cn1cc(CC(CCOCC(F)(F)F)NN)nn1.
What is the InChIKey of [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is OTXXTRMJGYXESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5O/c1-17-5-8(15-16-17)4-7(14-13)2-3-18-6-9(10,11)12/h5,7,14H,2-4,6,13H2,1H3.
What are the key properties of [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 267.25 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 107066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).