5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene

C20H23N3O — CID 146253617

IUPAC5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene
SMILESCC(C)OC1Cc2ccccc2C2C(N=NN2C)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-13(2)24-18-12-14-8-4-5-9-15(14)20-19(21-22-23(20)3)17-11-7-6-10-16(17)18/h4-11,13,18-20H,12H2,1-3H3
InChIKeyUXVRFCRUUZSNPP-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.80
Rot. Bonds2

About 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene

5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene (PubChem CID 146253617) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene.

Molecular Properties

Compound Name5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene
PubChem CID146253617
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene
SMILESCC(C)OC1Cc2ccccc2C2C(N=NN2C)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-13(2)24-18-12-14-8-4-5-9-15(14)20-19(21-22-23(20)3)17-11-7-6-10-16(17)18/h4-11,13,18-20H,12H2,1-3H3
InChIKeyUXVRFCRUUZSNPP-UHFFFAOYSA-N
XLogP4.80
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),4,7,9,11,15,17-heptaene
CID 177335859
13-butan-2-yl-3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),4,7,9,11,15,17-heptaene
CID 167077812
1-(3-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),4,7,9,11,15,17-heptaen-13-yl)ethanone
CID 123352903
propane;13-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene
CID 144871473
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
(7Z)-7,8-bis(ethenyl)-5-methyl-10-propan-2-yl-3,4,5,10-tetrazatricyclo[9.4.0.02,6]pentadeca-1(15),3,7,11,13-pentaene
CID 176682029
ethane;propane;2,4,4-trimethyl-1-(5-methyl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaen-13-yl)hexane-1,5-dione
CID 176682026
1-propan-2-yloxy-1,4-dihydroisoquinoline
CID 175902260
N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384247
(1S,2R)-N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384530
butane;(2E)-3-butan-2-yl-10-propan-2-yloxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaen-2-amine;ethane;2-methylpropane
CID 163254609
trimethyl-[(1S)-2-methyl-1,3-dihydroisoindol-1-yl]silane
CID 10932934

Frequently Asked Questions

What is the IUPAC name of 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene?
The IUPAC name of 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene (CID 146253617) is 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene.
What is the SMILES notation for 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene?
The canonical SMILES for 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene is CC(C)OC1Cc2ccccc2C2C(N=NN2C)c2ccccc21.
What is the InChIKey of 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene?
The InChIKey is UXVRFCRUUZSNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13(2)24-18-12-14-8-4-5-9-15(14)20-19(21-22-23(20)3)17-11-7-6-10-16(17)18/h4-11,13,18-20H,12H2,1-3H3.
What are the key properties of 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene?
5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene has a molecular weight of 321.42 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-14-propan-2-yloxy-3,4,5-triazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),3,7,9,11,15,17-heptaene is sourced from PubChem (CID 146253617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).