4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine

C19H18N8S — CID 66499157

IUPAC4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCSc1nc2nnc(-c3ccnc(N4c5ccccc5CC4C)n3)c(C)n2n1
InChIInChI=1S/C19H18N8S/c1-11-10-13-6-4-5-7-15(13)26(11)17-20-9-8-14(21-17)16-12(2)27-18(24-23-16)22-19(25-27)28-3/h4-9,11H,10H2,1-3H3
InChIKeyBWHFIPYZBFRSKE-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.09
Rot. Bonds3

About 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine

4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine (PubChem CID 66499157) has the molecular formula C19H18N8S and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
PubChem CID66499157
Molecular FormulaC19H18N8S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCSc1nc2nnc(-c3ccnc(N4c5ccccc5CC4C)n3)c(C)n2n1
InChIInChI=1S/C19H18N8S/c1-11-10-13-6-4-5-7-15(13)26(11)17-20-9-8-14(21-17)16-12(2)27-18(24-23-16)22-19(25-27)28-3/h4-9,11H,10H2,1-3H3
InChIKeyBWHFIPYZBFRSKE-UHFFFAOYSA-N
XLogP3.09
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine with MolForge

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Related Compounds

1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
CID 66493775
4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66498881
2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
CID 66493749
3-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]-4-methyl-7-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66499036
2-(2-methyl-2,3-dihydroindol-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112901248
2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112886156
2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
CID 66494093
4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66499165
N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80753740
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112897459
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine (CID 66499157) is 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine is CSc1nc2nnc(-c3ccnc(N4c5ccccc5CC4C)n3)c(C)n2n1.
What is the InChIKey of 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The InChIKey is BWHFIPYZBFRSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8S/c1-11-10-13-6-4-5-7-15(13)26(11)17-20-9-8-14(21-17)16-12(2)27-18(24-23-16)22-19(25-27)28-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine has a molecular weight of 390.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 66499157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).