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

C19H19F3N8S — CID 58333881

IUPAC2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(C)cn3)nc2s1
InChIInChI=1S/C19H19F3N8S/c1-3-4-12-7-13-15(24-18(25-16(13)31-12)30-9-11(2)8-23-30)28-5-6-29-14(10-28)26-27-17(29)19(20,21)22/h7-9H,3-6,10H2,1-2H3
InChIKeyQRSXWNNHRVEYRS-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.77
Rot. Bonds4

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

2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (PubChem CID 58333881) has the molecular formula C19H19F3N8S and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-6-propyl-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 Name2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
PubChem CID58333881
Molecular FormulaC19H19F3N8S
Molecular Weight448.48 g/mol
Exact Mass448.14
IUPAC Name2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(C)cn3)nc2s1
InChIInChI=1S/C19H19F3N8S/c1-3-4-12-7-13-15(24-18(25-16(13)31-12)30-9-11(2)8-23-30)28-5-6-29-14(10-28)26-27-17(29)19(20,21)22/h7-9H,3-6,10H2,1-2H3
InChIKeyQRSXWNNHRVEYRS-UHFFFAOYSA-N
XLogP3.77
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-6-propyl-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 2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine (CID 58333881) is 2-(4-methylpyrazol-1-yl)-6-propyl-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 2-(4-methylpyrazol-1-yl)-6-propyl-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 2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(C)cn3)nc2s1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-6-propyl-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 QRSXWNNHRVEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8S/c1-3-4-12-7-13-15(24-18(25-16(13)31-12)30-9-11(2)8-23-30)28-5-6-29-14(10-28)26-27-17(29)19(20,21)22/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine?
2-(4-methylpyrazol-1-yl)-6-propyl-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 448.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-6-propyl-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 58333881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).