3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide

C16H21N7OS — CID 74242271

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1snnc1C(C)C
InChIInChI=1S/C16H21N7OS/c1-9(2)15-13(25-22-21-15)7-17-14(24)6-5-12-10(3)20-16-18-8-19-23(16)11(12)4/h8-9H,5-7H2,1-4H3,(H,17,24)
InChIKeyAVIQBGBYXBLTBS-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.97
Rot. Bonds6

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide (PubChem CID 74242271) has the molecular formula C16H21N7OS and a molecular weight of 359.46 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
PubChem CID74242271
Molecular FormulaC16H21N7OS
Molecular Weight359.46 g/mol
Exact Mass359.15
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1snnc1C(C)C
InChIInChI=1S/C16H21N7OS/c1-9(2)15-13(25-22-21-15)7-17-14(24)6-5-12-10(3)20-16-18-8-19-23(16)11(12)4/h8-9H,5-7H2,1-4H3,(H,17,24)
InChIKeyAVIQBGBYXBLTBS-UHFFFAOYSA-N
XLogP1.97
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
2-[[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245295
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119525595
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
CID 134027791
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-3-phenylbutyl]propanamide
CID 52508735
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510463
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 9069037

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide (CID 74242271) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCc1snnc1C(C)C.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
The InChIKey is AVIQBGBYXBLTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7OS/c1-9(2)15-13(25-22-21-15)7-17-14(24)6-5-12-10(3)20-16-18-8-19-23(16)11(12)4/h8-9H,5-7H2,1-4H3,(H,17,24).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide has a molecular weight of 359.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 74242271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).