4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole

C16H20N4 — CID 22948920

IUPAC4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCc1c(C)c(C)c2c(ccn2Cc2ncn(C)n2)c1C
InChIInChI=1S/C16H20N4/c1-10-11(2)13(4)16-14(12(10)3)6-7-20(16)8-15-17-9-19(5)18-15/h6-7,9H,8H2,1-5H3
InChIKeyVPMUAJOIRLHEFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.05
Rot. Bonds2

About 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole

4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole (PubChem CID 22948920) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
PubChem CID22948920
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCc1c(C)c(C)c2c(ccn2Cc2ncn(C)n2)c1C
InChIInChI=1S/C16H20N4/c1-10-11(2)13(4)16-14(12(10)3)6-7-20(16)8-15-17-9-19(5)18-15/h6-7,9H,8H2,1-5H3
InChIKeyVPMUAJOIRLHEFN-UHFFFAOYSA-N
XLogP3.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole?
The IUPAC name of 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole (CID 22948920) is 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole.
What is the SMILES notation for 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole?
The canonical SMILES for 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole is Cc1c(C)c(C)c2c(ccn2Cc2ncn(C)n2)c1C.
What is the InChIKey of 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole?
The InChIKey is VPMUAJOIRLHEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-10-11(2)13(4)16-14(12(10)3)6-7-20(16)8-15-17-9-19(5)18-15/h6-7,9H,8H2,1-5H3.
What are the key properties of 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole?
4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole has a molecular weight of 268.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole is sourced from PubChem (CID 22948920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).