1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea

C9H11F3N6O2 — CID 174385419

IUPAC1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(N)c1cc(N(N)C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N6O2/c10-9(11,12)4-1-5(17(15)7(13)19)3-6(2-4)18(16)8(14)20/h1-3H,15-16H2,(H2,13,19)(H2,14,20)
InChIKeyGQWZQHHVSQMHFA-UHFFFAOYSA-N
MW292.22 g/mol
LogP0.22
Rot. Bonds2

About 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea

1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea (PubChem CID 174385419) has the molecular formula C9H11F3N6O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea
PubChem CID174385419
Molecular FormulaC9H11F3N6O2
Molecular Weight292.22 g/mol
Exact Mass292.09
IUPAC Name1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(N)c1cc(N(N)C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N6O2/c10-9(11,12)4-1-5(17(15)7(13)19)3-6(2-4)18(16)8(14)20/h1-3H,15-16H2,(H2,13,19)(H2,14,20)
InChIKeyGQWZQHHVSQMHFA-UHFFFAOYSA-N
XLogP0.22
TPSA144.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea 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

1,3-diamino-1-[3,5-bis(trifluoromethyl)phenyl]urea
CID 138738964
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
N-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetohydrazide bromide
CID 19849805
3-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 18471636
3-[N-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 68816668
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
CID 137418148
4-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 70144203
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide
CID 58356050
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea (CID 174385419) is 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea is NC(=O)N(N)c1cc(N(N)C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea?
The InChIKey is GQWZQHHVSQMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6O2/c10-9(11,12)4-1-5(17(15)7(13)19)3-6(2-4)18(16)8(14)20/h1-3H,15-16H2,(H2,13,19)(H2,14,20).
What are the key properties of 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea?
1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea has a molecular weight of 292.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-[amino(carbamoyl)amino]-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174385419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).