4-(trifluoromethoxy)pyridine-2,3,5-triamine

C6H7F3N4O — CID 118832073

IUPAC4-(trifluoromethoxy)pyridine-2,3,5-triamine
SMILESNc1cnc(N)c(N)c1OC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)14-4-2(10)1-13-5(12)3(4)11/h1H,10-11H2,(H2,12,13)
InChIKeyNYRJPXDZJSSHDA-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.73
Rot. Bonds1

About 4-(trifluoromethoxy)pyridine-2,3,5-triamine

4-(trifluoromethoxy)pyridine-2,3,5-triamine (PubChem CID 118832073) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-(trifluoromethoxy)pyridine-2,3,5-triamine.

Molecular Properties

Compound Name4-(trifluoromethoxy)pyridine-2,3,5-triamine
PubChem CID118832073
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name4-(trifluoromethoxy)pyridine-2,3,5-triamine
SMILESNc1cnc(N)c(N)c1OC(F)(F)F
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)14-4-2(10)1-13-5(12)3(4)11/h1H,10-11H2,(H2,12,13)
InChIKeyNYRJPXDZJSSHDA-UHFFFAOYSA-N
XLogP0.73
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(trifluoromethoxy)pyridine-2,3-diamine
CID 130093472
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
6-amino-4-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119014102
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
5-iodo-4-(trifluoromethoxy)pyridin-3-amine
CID 130089023
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)pyridine-2,3,5-triamine?
The IUPAC name of 4-(trifluoromethoxy)pyridine-2,3,5-triamine (CID 118832073) is 4-(trifluoromethoxy)pyridine-2,3,5-triamine.
What is the SMILES notation for 4-(trifluoromethoxy)pyridine-2,3,5-triamine?
The canonical SMILES for 4-(trifluoromethoxy)pyridine-2,3,5-triamine is Nc1cnc(N)c(N)c1OC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)pyridine-2,3,5-triamine?
The InChIKey is NYRJPXDZJSSHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)14-4-2(10)1-13-5(12)3(4)11/h1H,10-11H2,(H2,12,13).
What are the key properties of 4-(trifluoromethoxy)pyridine-2,3,5-triamine?
4-(trifluoromethoxy)pyridine-2,3,5-triamine has a molecular weight of 208.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)pyridine-2,3,5-triamine is sourced from PubChem (CID 118832073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).