1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea

C15H20N6O2 — CID 126446308

IUPAC1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1C[C@H](NC(=O)Nc2cccc3nn(C)nc23)CC1=O
InChIInChI=1S/C15H20N6O2/c1-3-7-21-9-10(8-13(21)22)16-15(23)17-11-5-4-6-12-14(11)19-20(2)18-12/h4-6,10H,3,7-9H2,1-2H3,(H2,16,17,23)/t10-/m1/s1
InChIKeyUCHGDZXKVWVVOK-SNVBAGLBSA-N
MW316.37 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea

1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea (PubChem CID 126446308) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
PubChem CID126446308
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea
SMILESCCCN1C[C@H](NC(=O)Nc2cccc3nn(C)nc23)CC1=O
InChIInChI=1S/C15H20N6O2/c1-3-7-21-9-10(8-13(21)22)16-15(23)17-11-5-4-6-12-14(11)19-20(2)18-12/h4-6,10H,3,7-9H2,1-2H3,(H2,16,17,23)/t10-/m1/s1
InChIKeyUCHGDZXKVWVVOK-SNVBAGLBSA-N
XLogP1.10
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea (CID 126446308) is 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea is CCCN1C[C@H](NC(=O)Nc2cccc3nn(C)nc23)CC1=O.
What is the InChIKey of 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
The InChIKey is UCHGDZXKVWVVOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-7-21-9-10(8-13(21)22)16-15(23)17-11-5-4-6-12-14(11)19-20(2)18-12/h4-6,10H,3,7-9H2,1-2H3,(H2,16,17,23)/t10-/m1/s1.
What are the key properties of 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea?
1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea has a molecular weight of 316.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzotriazol-4-yl)-3-[(3R)-5-oxo-1-propylpyrrolidin-3-yl]urea is sourced from PubChem (CID 126446308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).