6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine

C18H21F3N8S — CID 91500157

IUPAC6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1
InChIInChI=1S/C18H21F3N8S/c1-11-9-12-14(22-17(23-15(12)30-11)27-5-3-26(2)4-6-27)28-7-8-29-13(10-28)24-25-16(29)18(19,20)21/h9H,3-8,10H2,1-2H3
InChIKeyGZGGHUUBGTZZTD-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.38
Rot. Bonds2

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

6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 91500157) has the molecular formula C18H21F3N8S and a molecular weight of 438.48 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID91500157
Molecular FormulaC18H21F3N8S
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1
InChIInChI=1S/C18H21F3N8S/c1-11-9-12-14(22-17(23-15(12)30-11)27-5-3-26(2)4-6-27)28-7-8-29-13(10-28)24-25-16(29)18(19,20)21/h9H,3-8,10H2,1-2H3
InChIKeyGZGGHUUBGTZZTD-UHFFFAOYSA-N
XLogP2.38
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 91500157) is 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(C)CC3)nc2s1.
What is the InChIKey of 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
The InChIKey is GZGGHUUBGTZZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N8S/c1-11-9-12-14(22-17(23-15(12)30-11)27-5-3-26(2)4-6-27)28-7-8-29-13(10-28)24-25-16(29)18(19,20)21/h9H,3-8,10H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine has a molecular weight of 438.48 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperazin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 91500157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).