8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C19H18N6S — CID 43817370

IUPAC8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1nc(N)n2c(SCc3ccccn3)nnc2c1Cc1ccccc1
InChIInChI=1S/C19H18N6S/c1-13-16(11-14-7-3-2-4-8-14)17-23-24-19(25(17)18(20)22-13)26-12-15-9-5-6-10-21-15/h2-10H,11-12H2,1H3,(H2,20,22)
InChIKeyBRZLOGIZLOROSD-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.29
Rot. Bonds5

About 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 43817370) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID43817370
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCc1nc(N)n2c(SCc3ccccn3)nnc2c1Cc1ccccc1
InChIInChI=1S/C19H18N6S/c1-13-16(11-14-7-3-2-4-8-14)17-23-24-19(25(17)18(20)22-13)26-12-15-9-5-6-10-21-15/h2-10H,11-12H2,1H3,(H2,20,22)
InChIKeyBRZLOGIZLOROSD-UHFFFAOYSA-N
XLogP3.29
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

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Related Compounds

2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N,N-diethylacetamide
CID 1434095
2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3227869
5-benzyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 43817131
2-[(5-amino-8-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 1434204
4,7,8-trimethyl-1-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline
CID 3189393
8-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 6487451
(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
CID 82166971
2-[(5-amino-8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 43817354
5-(pyridin-2-ylmethylsulfanyl)tetrazol-1-amine
CID 13470595
7-(4-methylphenyl)-3-(pyridin-2-ylmethylsulfanyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 41160484
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 35532260
2-[[5-benzyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 42798856

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 43817370) is 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Cc1nc(N)n2c(SCc3ccccn3)nnc2c1Cc1ccccc1.
What is the InChIKey of 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is BRZLOGIZLOROSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-13-16(11-14-7-3-2-4-8-14)17-23-24-19(25(17)18(20)22-13)26-12-15-9-5-6-10-21-15/h2-10H,11-12H2,1H3,(H2,20,22).
What are the key properties of 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 362.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-7-methyl-3-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 43817370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).