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

C16H20N6O3 — CID 70752068

IUPAC2-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
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)c(=O)n2[nH]1
InChIInChI=1S/C16H20N6O3/c1-10-18-15-17-8-11(14(25)22(15)19-10)13(24)21-5-3-16(4-6-21)7-12(23)20(2)9-16/h8H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyQZNGTBPSNNQUCL-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.19
Rot. Bonds1

About 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

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 (PubChem CID 70752068) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID70752068
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name2-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
SMILESCc1nc2ncc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)c(=O)n2[nH]1
InChIInChI=1S/C16H20N6O3/c1-10-18-15-17-8-11(14(25)22(15)19-10)13(24)21-5-3-16(4-6-21)7-12(23)20(2)9-16/h8H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyQZNGTBPSNNQUCL-UHFFFAOYSA-N
XLogP-0.19
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70728705
2-methyl-6-({2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}carbonyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 70746157
7-Isopropyl-2-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72878762
7-Isopropyl-2-[(2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898379
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
(5R)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98307941
(5S)-2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98307942
2-methyl-6-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98321906
2-methyl-6-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 98321907
(5R)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98335015
(5S)-2-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 98335016
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ncc(C(=O)N3CCC4(CC3)CC(=O)N(C)C4)c(=O)n2[nH]1.
What is the InChIKey of 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?
The InChIKey is QZNGTBPSNNQUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-10-18-15-17-8-11(14(25)22(15)19-10)13(24)21-5-3-16(4-6-21)7-12(23)20(2)9-16/h8H,3-7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 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?
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 has a molecular weight of 344.38 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70752068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).