N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide

C9H12F3N5 — CID 156887115

IUPACN'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCc1cnc(/C(N)=N/N(C)N)c(C(F)(F)F)c1
InChIInChI=1S/C9H12F3N5/c1-5-3-6(9(10,11)12)7(15-4-5)8(13)16-17(2)14/h3-4H,14H2,1-2H3,(H2,13,16)
InChIKeyGRQFHDPAZURZEB-UHFFFAOYSA-N
MW247.22 g/mol
LogP0.83
Rot. Bonds2

About N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide

N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide (PubChem CID 156887115) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide
PubChem CID156887115
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC NameN'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide
SMILESCc1cnc(/C(N)=N/N(C)N)c(C(F)(F)F)c1
InChIInChI=1S/C9H12F3N5/c1-5-3-6(9(10,11)12)7(15-4-5)8(13)16-17(2)14/h3-4H,14H2,1-2H3,(H2,13,16)
InChIKeyGRQFHDPAZURZEB-UHFFFAOYSA-N
XLogP0.83
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide?
The IUPAC name of N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide (CID 156887115) is N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide?
The canonical SMILES for N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide is Cc1cnc(/C(N)=N/N(C)N)c(C(F)(F)F)c1.
What is the InChIKey of N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide?
The InChIKey is GRQFHDPAZURZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c1-5-3-6(9(10,11)12)7(15-4-5)8(13)16-17(2)14/h3-4H,14H2,1-2H3,(H2,13,16).
What are the key properties of N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide?
N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide has a molecular weight of 247.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 156887115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).