N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine

C14H11F3N4 — CID 138711264

IUPACN-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine
SMILESFC(F)(F)c1ccc(NC2=NC3=CC(C=CN3)C=C2)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-2-10(8-19-11)20-12-4-1-9-5-6-18-13(7-9)21-12/h1-9,18H,(H,20,21)
InChIKeyHWIHBIARGQJSHM-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.06
Rot. Bonds1

About N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine

N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine (PubChem CID 138711264) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine
PubChem CID138711264
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC NameN-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine
SMILESFC(F)(F)c1ccc(NC2=NC3=CC(C=CN3)C=C2)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)11-3-2-10(8-19-11)20-12-4-1-9-5-6-18-13(7-9)21-12/h1-9,18H,(H,20,21)
InChIKeyHWIHBIARGQJSHM-UHFFFAOYSA-N
XLogP3.06
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine with MolForge

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Related Compounds

N-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106578677
N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
CID 66615925
2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine
CID 169205129
5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-1,3,4-thiadiazole-2-thione
CID 82817494
2-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzenecarbothioamide
CID 82817488
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106821586
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine
CID 145007788
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
3-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzonitrile
CID 102817081
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine?
The IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine (CID 138711264) is N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine.
What is the SMILES notation for N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine?
The canonical SMILES for N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine is FC(F)(F)c1ccc(NC2=NC3=CC(C=CN3)C=C2)cn1.
What is the InChIKey of N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine?
The InChIKey is HWIHBIARGQJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)11-3-2-10(8-19-11)20-12-4-1-9-5-6-18-13(7-9)21-12/h1-9,18H,(H,20,21).
What are the key properties of N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine?
N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine has a molecular weight of 292.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-3-pyridinyl]-2,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraen-3-amine is sourced from PubChem (CID 138711264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).