7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride

C18H20ClN5O — CID 86298492

IUPAC7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2c3ccnc(C)c3n(CCCc3ncn[nH]3)c2c1.Cl
InChIInChI=1S/C18H19N5O.ClH/c1-12-18-15(7-8-19-12)14-6-5-13(24-2)10-16(14)23(18)9-3-4-17-20-11-21-22-17;/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22);1H
InChIKeyIPFFFUOWGAEMDA-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.68
Rot. Bonds5

About 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride

7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride (PubChem CID 86298492) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride
PubChem CID86298492
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2c3ccnc(C)c3n(CCCc3ncn[nH]3)c2c1.Cl
InChIInChI=1S/C18H19N5O.ClH/c1-12-18-15(7-8-19-12)14-6-5-13(24-2)10-16(14)23(18)9-3-4-17-20-11-21-22-17;/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22);1H
InChIKeyIPFFFUOWGAEMDA-UHFFFAOYSA-N
XLogP3.68
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride with MolForge

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Related Compounds

7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
CID 86298685
4-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]morpholine
CID 90463069
4-[7-(deuteriomethoxy)-1-methylpyrido[3,4-b]indol-9-yl]butanenitrile
CID 155682962
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
CID 155682956
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
CID 46704401
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole;hydrobromide
CID 46907529
N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
CID 155682992
7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
CID 155541088
6-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]isoquinolin-1-amine
CID 106538773

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride (CID 86298492) is 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride is COc1ccc2c3ccnc(C)c3n(CCCc3ncn[nH]3)c2c1.Cl.
What is the InChIKey of 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride?
The InChIKey is IPFFFUOWGAEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O.ClH/c1-12-18-15(7-8-19-12)14-6-5-13(24-2)10-16(14)23(18)9-3-4-17-20-11-21-22-17;/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride?
7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride has a molecular weight of 357.85 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-9-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 86298492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).