4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide

C16H22N6O3 — CID 56796991

IUPAC4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCc1cc(C)n2nc(CC(=O)NCC3(C(N)=O)CCOCC3)nc2n1
InChIInChI=1S/C16H22N6O3/c1-10-7-11(2)22-15(19-10)20-12(21-22)8-13(23)18-9-16(14(17)24)3-5-25-6-4-16/h7H,3-6,8-9H2,1-2H3,(H2,17,24)(H,18,23)
InChIKeySLTAPCYDZZQZMO-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.32
Rot. Bonds5

About 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide

4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide (PubChem CID 56796991) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide
PubChem CID56796991
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCc1cc(C)n2nc(CC(=O)NCC3(C(N)=O)CCOCC3)nc2n1
InChIInChI=1S/C16H22N6O3/c1-10-7-11(2)22-15(19-10)20-12(21-22)8-13(23)18-9-16(14(17)24)3-5-25-6-4-16/h7H,3-6,8-9H2,1-2H3,(H2,17,24)(H,18,23)
InChIKeySLTAPCYDZZQZMO-UHFFFAOYSA-N
XLogP-0.32
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide (CID 56796991) is 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide is Cc1cc(C)n2nc(CC(=O)NCC3(C(N)=O)CCOCC3)nc2n1.
What is the InChIKey of 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is SLTAPCYDZZQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-10-7-11(2)22-15(19-10)20-12(21-22)8-13(23)18-9-16(14(17)24)3-5-25-6-4-16/h7H,3-6,8-9H2,1-2H3,(H2,17,24)(H,18,23).
What are the key properties of 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide?
4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56796991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).