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

C15H24N6O2 — CID 134789368

IUPAC1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea
SMILESCC(C)NC(=O)NCc1nnc2n1C(C(=O)N1CCCC1)CC2
InChIInChI=1S/C15H24N6O2/c1-10(2)17-15(23)16-9-13-19-18-12-6-5-11(21(12)13)14(22)20-7-3-4-8-20/h10-11H,3-9H2,1-2H3,(H2,16,17,23)
InChIKeyNYDBQJIMNMUSFY-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.60
Rot. Bonds4

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

1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea (PubChem CID 134789368) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea
PubChem CID134789368
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea
SMILESCC(C)NC(=O)NCc1nnc2n1C(C(=O)N1CCCC1)CC2
InChIInChI=1S/C15H24N6O2/c1-10(2)17-15(23)16-9-13-19-18-12-6-5-11(21(12)13)14(22)20-7-3-4-8-20/h10-11H,3-9H2,1-2H3,(H2,16,17,23)
InChIKeyNYDBQJIMNMUSFY-UHFFFAOYSA-N
XLogP0.60
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea (CID 134789368) is 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea is CC(C)NC(=O)NCc1nnc2n1C(C(=O)N1CCCC1)CC2.
What is the InChIKey of 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea?
The InChIKey is NYDBQJIMNMUSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-10(2)17-15(23)16-9-13-19-18-12-6-5-11(21(12)13)14(22)20-7-3-4-8-20/h10-11H,3-9H2,1-2H3,(H2,16,17,23).
What are the key properties of 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea?
1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea has a molecular weight of 320.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[5-(pyrrolidine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]urea is sourced from PubChem (CID 134789368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).