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

C9H13F3N6O — CID 102721067

IUPAC2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
SMILESNNc1cc(C(F)(F)F)cc(NCCNC(N)=O)n1
InChIInChI=1S/C9H13F3N6O/c10-9(11,12)5-3-6(17-7(4-5)18-14)15-1-2-16-8(13)19/h3-4H,1-2,14H2,(H3,13,16,19)(H2,15,17,18)
InChIKeyHEMVXZRRNTZXPK-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.47
Rot. Bonds5

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

2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea (PubChem CID 102721067) has the molecular formula C9H13F3N6O and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea.

Molecular Properties

Compound Name2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
PubChem CID102721067
Molecular FormulaC9H13F3N6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
SMILESNNc1cc(C(F)(F)F)cc(NCCNC(N)=O)n1
InChIInChI=1S/C9H13F3N6O/c10-9(11,12)5-3-6(17-7(4-5)18-14)15-1-2-16-8(13)19/h3-4H,1-2,14H2,(H3,13,16,19)(H2,15,17,18)
InChIKeyHEMVXZRRNTZXPK-UHFFFAOYSA-N
XLogP0.47
TPSA118.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}

Analyze 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
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
1,1-dimethyl-3-[2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 102719106
2-[(6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83118066
5-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 106241553
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720794
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987

Frequently Asked Questions

What is the IUPAC name of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea?
The IUPAC name of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea (CID 102721067) is 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea.
What is the SMILES notation for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea?
The canonical SMILES for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea is NNc1cc(C(F)(F)F)cc(NCCNC(N)=O)n1.
What is the InChIKey of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea?
The InChIKey is HEMVXZRRNTZXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N6O/c10-9(11,12)5-3-6(17-7(4-5)18-14)15-1-2-16-8(13)19/h3-4H,1-2,14H2,(H3,13,16,19)(H2,15,17,18).
What are the key properties of 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea?
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea has a molecular weight of 278.24 g/mol, XLogP of 0.47, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea is sourced from PubChem (CID 102721067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).