N'-methyl-N'-[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]ethane-1,2-diamine

C18H23F3N8S — CID 58333828

IUPACN'-methyl-N'-[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]ethane-1,2-diamine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N(C)CCN)nc2s1
InChIInChI=1S/C18H23F3N8S/c1-3-4-11-9-12-14(23-17(24-15(12)30-11)27(2)6-5-22)28-7-8-29-13(10-28)25-26-16(29)18(19,20)21/h9H,3-8,10,22H2,1-2H3
InChIKeySMGJPVHLTNSTQH-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.67
Rot. Bonds6

About N'-methyl-N'-[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]ethane-1,2-diamine

N'-methyl-N'-[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]ethane-1,2-diamine (PubChem CID 58333828) has the molecular formula C18H23F3N8S and a molecular weight of 440.50 g/mol. Its IUPAC name is N'-methyl-N'-[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]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[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]ethane-1,2-diamine
PubChem CID58333828
Molecular FormulaC18H23F3N8S
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC NameN'-methyl-N'-[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]ethane-1,2-diamine
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N(C)CCN)nc2s1
InChIInChI=1S/C18H23F3N8S/c1-3-4-11-9-12-14(23-17(24-15(12)30-11)27(2)6-5-22)28-7-8-29-13(10-28)25-26-16(29)18(19,20)21/h9H,3-8,10,22H2,1-2H3
InChIKeySMGJPVHLTNSTQH-UHFFFAOYSA-N
XLogP2.67
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N'-methyl-N'-[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]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[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]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[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]ethane-1,2-diamine (CID 58333828) is N'-methyl-N'-[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]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[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]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[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]ethane-1,2-diamine is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N(C)CCN)nc2s1.
What is the InChIKey of N'-methyl-N'-[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]ethane-1,2-diamine?
The InChIKey is SMGJPVHLTNSTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N8S/c1-3-4-11-9-12-14(23-17(24-15(12)30-11)27(2)6-5-22)28-7-8-29-13(10-28)25-26-16(29)18(19,20)21/h9H,3-8,10,22H2,1-2H3.
What are the key properties of N'-methyl-N'-[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]ethane-1,2-diamine?
N'-methyl-N'-[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]ethane-1,2-diamine has a molecular weight of 440.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[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]ethane-1,2-diamine is sourced from PubChem (CID 58333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).