3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide

C9H12F3N5O — CID 102720469

IUPAC3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESNNc1cc(C(F)(F)F)cc(NCCC(N)=O)n1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)5-3-7(15-2-1-6(13)18)16-8(4-5)17-14/h3-4H,1-2,14H2,(H2,13,18)(H2,15,16,17)
InChIKeyRHRMKPRELBVINT-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.67
Rot. Bonds5

About 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide

3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide (PubChem CID 102720469) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
PubChem CID102720469
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESNNc1cc(C(F)(F)F)cc(NCCC(N)=O)n1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)5-3-7(15-2-1-6(13)18)16-8(4-5)17-14/h3-4H,1-2,14H2,(H2,13,18)(H2,15,16,17)
InChIKeyRHRMKPRELBVINT-UHFFFAOYSA-N
XLogP0.67
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.67
H-Bond Donors ≤ 54
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-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102721067
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 102721008
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581
6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720907
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773

Frequently Asked Questions

What is the IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide (CID 102720469) is 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide is NNc1cc(C(F)(F)F)cc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is RHRMKPRELBVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c10-9(11,12)5-3-7(15-2-1-6(13)18)16-8(4-5)17-14/h3-4H,1-2,14H2,(H2,13,18)(H2,15,16,17).
What are the key properties of 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 263.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 102720469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).