N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C18H27N5O3 — CID 166803393

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCC(C)c1cc2c(=O)n(CC(=O)NC3CC(C)(O)C3)nc(C(C)C)n2n1
InChIInChI=1S/C18H27N5O3/c1-10(2)13-6-14-17(25)22(21-16(11(3)4)23(14)20-13)9-15(24)19-12-7-18(5,26)8-12/h6,10-12,26H,7-9H2,1-5H3,(H,19,24)
InChIKeyDDBRLPBKKQESBW-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.17
Rot. Bonds5

About N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 166803393) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID166803393
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCC(C)c1cc2c(=O)n(CC(=O)NC3CC(C)(O)C3)nc(C(C)C)n2n1
InChIInChI=1S/C18H27N5O3/c1-10(2)13-6-14-17(25)22(21-16(11(3)4)23(14)20-13)9-15(24)19-12-7-18(5,26)8-12/h6,10-12,26H,7-9H2,1-5H3,(H,19,24)
InChIKeyDDBRLPBKKQESBW-UHFFFAOYSA-N
XLogP1.17
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]-2-(9-oxo-12-propan-2-yl-5-thia-1,3,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 146308208
2-[2-cyclopropyl-7-(3-methoxypropyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 166518347
2-[4-chloro-12-(2-hydroxypropan-2-yl)-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 146308191
2-(4-chloro-9-oxo-12-propan-2-yl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(2-oxaspiro[3.3]heptan-6-yl)acetamide
CID 146308198
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
N-cyclopropyl-2-(9-oxo-12-propan-2-yl-5-thia-1,3,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 146308293
methyl 2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetate
CID 166803303
ethyl 2-[2-(2,2-difluorocyclopropyl)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]acetate
CID 166518349
2-[4-(dimethylamino)-7-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 168797392
2-(4-chloro-9-oxo-12-propan-2-yl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-cyclopentylacetamide
CID 146308426
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methylpyrimidin-5-yl)acetamide
CID 166803353

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 166803393) is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CC(C)c1cc2c(=O)n(CC(=O)NC3CC(C)(O)C3)nc(C(C)C)n2n1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is DDBRLPBKKQESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-10(2)13-6-14-17(25)22(21-16(11(3)4)23(14)20-13)9-15(24)19-12-7-18(5,26)8-12/h6,10-12,26H,7-9H2,1-5H3,(H,19,24).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-2,7-di(propan-2-yl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 166803393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).