2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol

C24H23N5O — CID 58382062

IUPAC2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccccc3CN)n3c2cnc2[nH]ccc23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,30)17-9-7-15(8-10-17)21-20-14-27-22-19(11-12-26-22)29(20)23(28-21)18-6-4-3-5-16(18)13-25/h3-12,14,26,30H,13,25H2,1-2H3
InChIKeyYNPGJAKDKBKNHJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.23
Rot. Bonds4

About 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol

2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol (PubChem CID 58382062) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol
PubChem CID58382062
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2nc(-c3ccccc3CN)n3c2cnc2[nH]ccc23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,30)17-9-7-15(8-10-17)21-20-14-27-22-19(11-12-26-22)29(20)23(28-21)18-6-4-3-5-16(18)13-25/h3-12,14,26,30H,13,25H2,1-2H3
InChIKeyYNPGJAKDKBKNHJ-UHFFFAOYSA-N
XLogP4.23
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol 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 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol (CID 58382062) is 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2nc(-c3ccccc3CN)n3c2cnc2[nH]ccc23)cc1.
What is the InChIKey of 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol?
The InChIKey is YNPGJAKDKBKNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-24(2,30)17-9-7-15(8-10-17)21-20-14-27-22-19(11-12-26-22)29(20)23(28-21)18-6-4-3-5-16(18)13-25/h3-12,14,26,30H,13,25H2,1-2H3.
What are the key properties of 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol?
2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol has a molecular weight of 397.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[12-[2-(aminomethyl)phenyl]-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]propan-2-ol is sourced from PubChem (CID 58382062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).