5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C16H17F3N8 — CID 155594757

IUPAC5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCNC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1
InChIInChI=1S/C16H17F3N8/c1-21-10-2-9(3-10)6-23-12-4-13(26-27-15(12)16(17,18)19)25-14-8-22-11(5-20)7-24-14/h4,7-10,21H,2-3,6H2,1H3,(H2,23,24,25,26)
InChIKeyVUUZHNSNNXGIGQ-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.31
Rot. Bonds6

About 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594757) has the molecular formula C16H17F3N8 and a molecular weight of 378.36 g/mol. Its IUPAC name is 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594757
Molecular FormulaC16H17F3N8
Molecular Weight378.36 g/mol
Exact Mass378.15
IUPAC Name5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCNC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1
InChIInChI=1S/C16H17F3N8/c1-21-10-2-9(3-10)6-23-12-4-13(26-27-15(12)16(17,18)19)25-14-8-22-11(5-20)7-24-14/h4,7-10,21H,2-3,6H2,1H3,(H2,23,24,25,26)
InChIKeyVUUZHNSNNXGIGQ-UHFFFAOYSA-N
XLogP2.31
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

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Related Compounds

(S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile
CID 25171666
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 25171874
(S)-5-(5-cyclopropyl-1H-pyrazol-3-ylamino)-3-(1-(5-fluoropyridin-2-yl)ethylamino)pyrazine-2-carbonitrile
CID 25171876
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 25172085
(S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methyl-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile
CID 45486156
(R)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methyl-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile
CID 45486157
5-[[4-[3-(Cyclobutylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150886163
N-(5-piperidin-4-yl-1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 122193944
5-[[5-(Piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594718
5-[[5-(Morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594858
2-[2-[[5-(3,5-Dimethylpyrazol-1-yl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
CID 71922532
3-[[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 25171878

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594757) is 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is CNC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(F)(F)F)C1.
What is the InChIKey of 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is VUUZHNSNNXGIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8/c1-21-10-2-9(3-10)6-23-12-4-13(26-27-15(12)16(17,18)19)25-14-8-22-11(5-20)7-24-14/h4,7-10,21H,2-3,6H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 378.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[3-(methylamino)cyclobutyl]methylamino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).