1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile

C21H24N6 — CID 166433916

IUPAC1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile
SMILESCC1CC(n2nnc3c2CN(Cc2c(C#N)n(C)c4ccccc24)CC3)C1
InChIInChI=1S/C21H24N6/c1-14-9-15(10-14)27-21-13-26(8-7-18(21)23-24-27)12-17-16-5-3-4-6-19(16)25(2)20(17)11-22/h3-6,14-15H,7-10,12-13H2,1-2H3
InChIKeyVDMGKMYPJJOXRQ-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.17
Rot. Bonds3

About 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile

1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile (PubChem CID 166433916) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile
PubChem CID166433916
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile
SMILESCC1CC(n2nnc3c2CN(Cc2c(C#N)n(C)c4ccccc24)CC3)C1
InChIInChI=1S/C21H24N6/c1-14-9-15(10-14)27-21-13-26(8-7-18(21)23-24-27)12-17-16-5-3-4-6-19(16)25(2)20(17)11-22/h3-6,14-15H,7-10,12-13H2,1-2H3
InChIKeyVDMGKMYPJJOXRQ-UHFFFAOYSA-N
XLogP3.17
TPSA62.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile?
The IUPAC name of 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile (CID 166433916) is 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile.
What is the SMILES notation for 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile?
The canonical SMILES for 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile is CC1CC(n2nnc3c2CN(Cc2c(C#N)n(C)c4ccccc24)CC3)C1.
What is the InChIKey of 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile?
The InChIKey is VDMGKMYPJJOXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-14-9-15(10-14)27-21-13-26(8-7-18(21)23-24-27)12-17-16-5-3-4-6-19(16)25(2)20(17)11-22/h3-6,14-15H,7-10,12-13H2,1-2H3.
What are the key properties of 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile?
1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile has a molecular weight of 360.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(3-methylcyclobutyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]indole-2-carbonitrile is sourced from PubChem (CID 166433916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).