2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide

C17H26N6OS — CID 24792743

IUPAC2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCCCc1cc2nnc(SCC(=O)N(C)C3CCCCC3)n2c(N)n1
InChIInChI=1S/C17H26N6OS/c1-3-7-12-10-14-20-21-17(23(14)16(18)19-12)25-11-15(24)22(2)13-8-5-4-6-9-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19)
InChIKeyDIZNJDKSHYCMNQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.54
Rot. Bonds6

About 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide

2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (PubChem CID 24792743) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
PubChem CID24792743
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC Name2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide
SMILESCCCc1cc2nnc(SCC(=O)N(C)C3CCCCC3)n2c(N)n1
InChIInChI=1S/C17H26N6OS/c1-3-7-12-10-14-20-21-17(23(14)16(18)19-12)25-11-15(24)22(2)13-8-5-4-6-9-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19)
InChIKeyDIZNJDKSHYCMNQ-UHFFFAOYSA-N
XLogP2.54
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Acetamide, N-cyclohexyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)-
CID 719034
N-cyclohexyl-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 1457998
1-(3,5-Dimethylpiperidin-1-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 3678360
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 4519994
2-[(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4783745
2-(5-Amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-cyclohexyl-acetamide
CID 24792337
2-[(5-Amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 647204
2-(5-Amino-8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 652482
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2587038
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3146090
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3589665
2-(5-Amino-8-ethyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-N-cyclohexyl-acetamide
CID 24792338

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide (CID 24792743) is 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide is CCCc1cc2nnc(SCC(=O)N(C)C3CCCCC3)n2c(N)n1.
What is the InChIKey of 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is DIZNJDKSHYCMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-3-7-12-10-14-20-21-17(23(14)16(18)19-12)25-11-15(24)22(2)13-8-5-4-6-9-13/h10,13H,3-9,11H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide?
2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 362.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 24792743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).