5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H28N6O2 — CID 92604308

IUPAC5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NC(C)(C)CN3CCCC[C@@H]3C)[nH]n2c(=O)c1C
InChIInChI=1S/C18H28N6O2/c1-11-8-6-7-9-23(11)10-18(4,5)21-15(25)14-20-17-19-13(3)12(2)16(26)24(17)22-14/h11H,6-10H2,1-5H3,(H,21,25)(H,19,20,22)/t11-/m0/s1
InChIKeyJYBIWPATUPVOEY-NSHDSACASA-N
MW360.46 g/mol
LogP1.42
Rot. Bonds4

About 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 92604308) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID92604308
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2nc(C(=O)NC(C)(C)CN3CCCC[C@@H]3C)[nH]n2c(=O)c1C
InChIInChI=1S/C18H28N6O2/c1-11-8-6-7-9-23(11)10-18(4,5)21-15(25)14-20-17-19-13(3)12(2)16(26)24(17)22-14/h11H,6-10H2,1-5H3,(H,21,25)(H,19,20,22)/t11-/m0/s1
InChIKeyJYBIWPATUPVOEY-NSHDSACASA-N
XLogP1.42
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 92604308) is 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc2nc(C(=O)NC(C)(C)CN3CCCC[C@@H]3C)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JYBIWPATUPVOEY-NSHDSACASA-N. The full InChI is InChI=1S/C18H28N6O2/c1-11-8-6-7-9-23(11)10-18(4,5)21-15(25)14-20-17-19-13(3)12(2)16(26)24(17)22-14/h11H,6-10H2,1-5H3,(H,21,25)(H,19,20,22)/t11-/m0/s1.
What are the key properties of 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-methyl-1-[(2S)-2-methylpiperidin-1-yl]propan-2-yl]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 92604308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).