6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H26N6O — CID 126941673

About 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941673) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
• PubChem CID: 126941673
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
• SMILES: O=c1cc(C2CC2)ncn1CC1CCN(Cc2nnc3n2CCC3)CC1
• InChI: InChI=1S/C19H26N6O/c26-19-10-16(15-3-4-15)20-13-24(19)11-14-5-8-23(9-6-14)12-18-22-21-17-2-1-7-25(17)18/h10,13-15H,1-9,11-12H2
• InChIKey: LZJRJXZZFTUWBG-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941673) is 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(Cc2nnc3n2CCC3)CC1.

What is the InChIKey of 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?

The InChIKey is LZJRJXZZFTUWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19-10-16(15-3-4-15)20-13-24(19)11-14-5-8-23(9-6-14)12-18-22-21-17-2-1-7-25(17)18/h10,13-15H,1-9,11-12H2.

What are the key properties of 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one?

6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 354.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).