1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea

C15H24N6O3 — CID 134788553

About 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea

1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea (PubChem CID 134788553) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea
• PubChem CID: 134788553
• Molecular Formula: C15H24N6O3
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.19
• IUPAC Name: 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)NCc1nnc2n1C(C(=O)N1CCOCC1)CC2
• InChI: InChI=1S/C15H24N6O3/c1-10(2)17-15(23)16-9-13-19-18-12-4-3-11(21(12)13)14(22)20-5-7-24-8-6-20/h10-11H,3-9H2,1-2H3,(H2,16,17,23)
• InChIKey: JOEBXHUUZOONLV-UHFFFAOYSA-N
• XLogP: -0.17
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea?

The IUPAC name of 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea (CID 134788553) is 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1nnc2n1C(C(=O)N1CCOCC1)CC2.

What is the InChIKey of 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea?

The InChIKey is JOEBXHUUZOONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-10(2)17-15(23)16-9-13-19-18-12-4-3-11(21(12)13)14(22)20-5-7-24-8-6-20/h10-11H,3-9H2,1-2H3,(H2,16,17,23).

What are the key properties of 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea?

1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea has a molecular weight of 336.40 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 134788553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).