5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C15H15F3N8O — CID 155594858

IUPAC5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(F)(F)F)nn2)cn1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)14-11(22-7-10-6-20-1-2-27-10)3-12(25-26-14)24-13-8-21-9(4-19)5-23-13/h3,5,8,10,20H,1-2,6-7H2,(H2,22,23,24,25)
InChIKeyUXMQIUSKNMLZHP-UHFFFAOYSA-N
MW380.33 g/mol
LogP1.30
Rot. Bonds5

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

5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594858) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594858
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC Name5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(F)(F)F)nn2)cn1
InChIInChI=1S/C15H15F3N8O/c16-15(17,18)14-11(22-7-10-6-20-1-2-27-10)3-12(25-26-14)24-13-8-21-9(4-19)5-23-13/h3,5,8,10,20H,1-2,6-7H2,(H2,22,23,24,25)
InChIKeyUXMQIUSKNMLZHP-UHFFFAOYSA-N
XLogP1.30
TPSA120.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

Sra-737
CID 72165232
5-[[5-(1-methylpyrazol-4-yl)-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162670790
5-[[5-(1-methylpyrazol-4-yl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610918
5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 151063514
5-[[5-fluoro-4-[[(2R)-morpholin-2-yl]methylamino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162646088
5-[[5-Cyano-4-(morpholin-2-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 162652202
Unii-lcr5pkk3H6
CID 72202596
5-[[5-(Piperidin-4-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594718
Tert-butyl 2-[[[6-[(5-cyanopyrazin-2-yl)amino]-3-(trifluoromethyl)pyridazin-4-yl]amino]methyl]morpholine-4-carboxylate
CID 155594867
5-[[4-(Morpholin-2-ylmethylamino)-5-(trifluoromethyl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
CID 72202595
5-[[4-[methyl-[(2S)-morpholin-2-yl]amino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 89906730
5-[[4-[Methyl(morpholin-2-yl)amino]-5-(trifluoromethyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 89906733

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594858) is 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CNCCO3)c(C(F)(F)F)nn2)cn1.
What is the InChIKey of 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is UXMQIUSKNMLZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c16-15(17,18)14-11(22-7-10-6-20-1-2-27-10)3-12(25-26-14)24-13-8-21-9(4-19)5-23-13/h3,5,8,10,20H,1-2,6-7H2,(H2,22,23,24,25).
What are the key properties of 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 380.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(morpholin-2-ylmethylamino)-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).