8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H23N7O4 — CID 165417906

IUPAC8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)C(=O)NC(=O)N4CC(C)C)c(=O)n2[nH]1
InChIInChI=1S/C18H23N7O4/c1-10(2)9-24-17(29)21-15(28)18(24)4-6-23(7-5-18)13(26)12-8-19-16-20-11(3)22-25(16)14(12)27/h8,10H,4-7,9H2,1-3H3,(H,19,20,22)(H,21,28,29)
InChIKeyWJBZFLVPBHOHPQ-UHFFFAOYSA-N
MW401.43 g/mol
LogP-0.09
Rot. Bonds3

About 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165417906) has the molecular formula C18H23N7O4 and a molecular weight of 401.43 g/mol. Its IUPAC name is 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165417906
Molecular FormulaC18H23N7O4
Molecular Weight401.43 g/mol
Exact Mass401.18
IUPAC Name8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)C(=O)NC(=O)N4CC(C)C)c(=O)n2[nH]1
InChIInChI=1S/C18H23N7O4/c1-10(2)9-24-17(29)21-15(28)18(24)4-6-23(7-5-18)13(26)12-8-19-16-20-11(3)22-25(16)14(12)27/h8,10H,4-7,9H2,1-3H3,(H,19,20,22)(H,21,28,29)
InChIKeyWJBZFLVPBHOHPQ-UHFFFAOYSA-N
XLogP-0.09
TPSA132.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

8-[(2-Tert-butyl-4-hydroxypyrimidin-5-yl)carbonyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70714261
2-methyl-6-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70728705
2-methyl-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752068
2-(Dimethylamino)-8-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 91760118
1-Isobutyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421456

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165417906) is 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nc2ncc(C(=O)N3CCC4(CC3)C(=O)NC(=O)N4CC(C)C)c(=O)n2[nH]1.
What is the InChIKey of 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WJBZFLVPBHOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O4/c1-10(2)9-24-17(29)21-15(28)18(24)4-6-23(7-5-18)13(26)12-8-19-16-20-11(3)22-25(16)14(12)27/h8,10H,4-7,9H2,1-3H3,(H,19,20,22)(H,21,28,29).
What are the key properties of 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 401.43 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165417906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).