1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole

C17H25N5O — CID 165035396

IUPAC1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole
SMILESCN1CCOCC1.Cn1cccc1.Cn1nnc2ccccc21
InChIInChI=1S/C7H7N3.C5H11NO.C5H7N/c1-10-7-5-3-2-4-6(7)8-9-10;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H2,1H3;2-5H,1H3
InChIKeyNHOBRGZUENRDSK-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.94
Rot. Bonds

About 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole

1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole (PubChem CID 165035396) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole.

Molecular Properties

Compound Name1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole
PubChem CID165035396
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole
SMILESCN1CCOCC1.Cn1cccc1.Cn1nnc2ccccc21
InChIInChI=1S/C7H7N3.C5H11NO.C5H7N/c1-10-7-5-3-2-4-6(7)8-9-10;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H2,1H3;2-5H,1H3
InChIKeyNHOBRGZUENRDSK-UHFFFAOYSA-N
XLogP1.94
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole?
The IUPAC name of 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole (CID 165035396) is 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole.
What is the SMILES notation for 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole?
The canonical SMILES for 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole is CN1CCOCC1.Cn1cccc1.Cn1nnc2ccccc21.
What is the InChIKey of 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole?
The InChIKey is NHOBRGZUENRDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C5H11NO.C5H7N/c1-10-7-5-3-2-4-6(7)8-9-10;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h2-5H,1H3;2-5H2,1H3;2-5H,1H3.
What are the key properties of 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole?
1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole has a molecular weight of 315.42 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzotriazole;4-methylmorpholine;1-methylpyrrole is sourced from PubChem (CID 165035396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).