4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine

C19H22F3N7OS — CID 58333753

IUPAC4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCOCC3)nc2s1
InChIInChI=1S/C19H22F3N7OS/c1-2-3-12-10-13-15(23-18(24-16(13)31-12)27-6-8-30-9-7-27)28-4-5-29-14(11-28)25-26-17(29)19(20,21)22/h10H,2-9,11H2,1H3
InChIKeyUBXQCTNBXQDXDB-UHFFFAOYSA-N
MW453.49 g/mol
LogP3.11
Rot. Bonds4

About 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine

4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 58333753) has the molecular formula C19H22F3N7OS and a molecular weight of 453.49 g/mol. Its IUPAC name is 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID58333753
Molecular FormulaC19H22F3N7OS
Molecular Weight453.49 g/mol
Exact Mass453.16
IUPAC Name4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCOCC3)nc2s1
InChIInChI=1S/C19H22F3N7OS/c1-2-3-12-10-13-15(23-18(24-16(13)31-12)27-6-8-30-9-7-27)28-4-5-29-14(11-28)25-26-17(29)19(20,21)22/h10H,2-9,11H2,1H3
InChIKeyUBXQCTNBXQDXDB-UHFFFAOYSA-N
XLogP3.11
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine (CID 58333753) is 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCOCC3)nc2s1.
What is the InChIKey of 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is UBXQCTNBXQDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7OS/c1-2-3-12-10-13-15(23-18(24-16(13)31-12)27-6-8-30-9-7-27)28-4-5-29-14(11-28)25-26-17(29)19(20,21)22/h10H,2-9,11H2,1H3.
What are the key properties of 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine?
4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 453.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 58333753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).