5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide

C11H15N7O2 — CID 156586902

IUPAC5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)Nc2cnn3c2NCCC3)nn1C
InChIInChI=1S/C11H15N7O2/c1-17-11(20-2)15-8(16-17)10(19)14-7-6-13-18-5-3-4-12-9(7)18/h6,12H,3-5H2,1-2H3,(H,14,19)
InChIKeyVMSMRWPNOMCYQP-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.09
Rot. Bonds3

About 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide

5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 156586902) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
PubChem CID156586902
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)Nc2cnn3c2NCCC3)nn1C
InChIInChI=1S/C11H15N7O2/c1-17-11(20-2)15-8(16-17)10(19)14-7-6-13-18-5-3-4-12-9(7)18/h6,12H,3-5H2,1-2H3,(H,14,19)
InChIKeyVMSMRWPNOMCYQP-UHFFFAOYSA-N
XLogP0.09
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-4-carboxamide
CID 137253333
2,6-difluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 137255592
2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 165445223
2-methyl-4-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrimidine-5-carboxamide
CID 137313999
5-chloro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carboxamide
CID 137255597
1-(difluoromethyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-3-carboxamide
CID 137253316
2,3-dimethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1H-indole-5-carboxamide
CID 137255654
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 137255532
5-(2-methylpropyl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2-oxazole-3-carboxamide
CID 137255522
3-cyclopentyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanamide
CID 137253325
1-(6-tert-butyl-2-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)urea
CID 166313179
N-(4-chloro-3-fluorophenyl)-N'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)oxamide
CID 135923235

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide (CID 156586902) is 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide is COc1nc(C(=O)Nc2cnn3c2NCCC3)nn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is VMSMRWPNOMCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-17-11(20-2)15-8(16-17)10(19)14-7-6-13-18-5-3-4-12-9(7)18/h6,12H,3-5H2,1-2H3,(H,14,19).
What are the key properties of 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide?
5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 156586902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).