2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C16H20N8O3 — CID 91760118

IUPAC2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)c(=O)n2[nH]1
InChIInChI=1S/C16H20N8O3/c1-9-18-14-17-8-10(12(26)24(14)21-9)11(25)23-6-4-16(5-7-23)13(27)19-15(20-16)22(2)3/h8H,4-7H2,1-3H3,(H,17,18,21)(H,19,20,27)
InChIKeyDKMWKUWXJQALPN-UHFFFAOYSA-N
MW372.39 g/mol
LogP-1.25
Rot. Bonds1

About 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 91760118) has the molecular formula C16H20N8O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID91760118
Molecular FormulaC16H20N8O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)c(=O)n2[nH]1
InChIInChI=1S/C16H20N8O3/c1-9-18-14-17-8-10(12(26)24(14)21-9)11(25)23-6-4-16(5-7-23)13(27)19-15(20-16)22(2)3/h8H,4-7H2,1-3H3,(H,17,18,21)(H,19,20,27)
InChIKeyDKMWKUWXJQALPN-UHFFFAOYSA-N
XLogP-1.25
TPSA128.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

N,2-dimethyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 56908642
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-methyl-6-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70782757
2-(Dimethylamino)-8-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one formate
CID 129613324
1-Isobutyl-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]decane-2,4-dione
CID 165417906

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 91760118) is 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1nc2ncc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)c(=O)n2[nH]1.
What is the InChIKey of 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is DKMWKUWXJQALPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O3/c1-9-18-14-17-8-10(12(26)24(14)21-9)11(25)23-6-4-16(5-7-23)13(27)19-15(20-16)22(2)3/h8H,4-7H2,1-3H3,(H,17,18,21)(H,19,20,27).
What are the key properties of 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 372.39 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 91760118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).