2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine

C13H13F3N6 — CID 169205129

IUPAC2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine
SMILESFC(F)(F)c1ccc(Nc2nccnc2NC2CNC2)cn1
InChIInChI=1S/C13H13F3N6/c14-13(15,16)10-2-1-8(7-20-10)21-11-12(19-4-3-18-11)22-9-5-17-6-9/h1-4,7,9,17H,5-6H2,(H,18,21)(H,19,22)
InChIKeyCMBFVSXNEOOXOQ-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.02
Rot. Bonds4

About 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine

2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine (PubChem CID 169205129) has the molecular formula C13H13F3N6 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine
PubChem CID169205129
Molecular FormulaC13H13F3N6
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine
SMILESFC(F)(F)c1ccc(Nc2nccnc2NC2CNC2)cn1
InChIInChI=1S/C13H13F3N6/c14-13(15,16)10-2-1-8(7-20-10)21-11-12(19-4-3-18-11)22-9-5-17-6-9/h1-4,7,9,17H,5-6H2,(H,18,21)(H,19,22)
InChIKeyCMBFVSXNEOOXOQ-UHFFFAOYSA-N
XLogP2.02
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[3-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyrazin-2-yl]amino]azetidine-1-carboxylate
CID 172634971
N-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
CID 66615925
N-(1H-imidazol-2-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106578677
N-(1-propan-2-ylpyrrolidin-3-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82810949
3-(4-fluoroanilino)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122516055
1-[4-[2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]piperidin-1-yl]prop-2-en-1-one
CID 172634956
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine
CID 145007788
N-(azetidin-3-yl)-3-chloropyrazin-2-amine
CID 121204705
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106821586
N-(2,6-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812384
5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-3H-1,3,4-thiadiazole-2-thione
CID 82817494
N-[6-(trifluoromethyl)-3-pyridinyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364808

Frequently Asked Questions

What is the IUPAC name of 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine (CID 169205129) is 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine is FC(F)(F)c1ccc(Nc2nccnc2NC2CNC2)cn1.
What is the InChIKey of 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine?
The InChIKey is CMBFVSXNEOOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6/c14-13(15,16)10-2-1-8(7-20-10)21-11-12(19-4-3-18-11)22-9-5-17-6-9/h1-4,7,9,17H,5-6H2,(H,18,21)(H,19,22).
What are the key properties of 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine?
2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine has a molecular weight of 310.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(azetidin-3-yl)-3-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2,3-diamine is sourced from PubChem (CID 169205129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).