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

C16H21N5 — CID 22948906

IUPAC3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole
SMILESCc1c(C)c(C)c2c(c(C)nn2Cc2ncn(C)n2)c1C
InChIInChI=1S/C16H21N5/c1-9-10(2)12(4)16-15(11(9)3)13(5)18-21(16)7-14-17-8-20(6)19-14/h8H,7H2,1-6H3
InChIKeyVJTWGMRHVWYLNR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.76
Rot. Bonds2

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

3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole (PubChem CID 22948906) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole.

Molecular Properties

Compound Name3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole
PubChem CID22948906
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole
SMILESCc1c(C)c(C)c2c(c(C)nn2Cc2ncn(C)n2)c1C
InChIInChI=1S/C16H21N5/c1-9-10(2)12(4)16-15(11(9)3)13(5)18-21(16)7-14-17-8-20(6)19-14/h8H,7H2,1-6H3
InChIKeyVJTWGMRHVWYLNR-UHFFFAOYSA-N
XLogP2.76
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
CID 22948913
3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)indole
CID 22948905
4,5,6,7-tetramethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indole
CID 22948920
3-[[2,5-dimethyl-3-(2,3,4,5,6-pentamethylphenyl)pyrrol-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 22948900
(1-methyl-1,2,4-triazol-3-yl)methanesulfonamide
CID 155678790
3,4,5,6,7-pentamethyl-1-[2,3,5,6-tetramethyl-4-(3,4,5,6,7-pentamethylindazol-1-yl)phenyl]indazole
CID 59181170
6-methyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 114207634
1-(3-methylpyrazin-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 102613114
2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
1-methyl-3-(2-pyrrol-1-ylethyl)-1,2,4-triazole
CID 80686951
3-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-1,2,4-triazole
CID 167063813
4,5-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 103883690

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole?
The IUPAC name of 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole (CID 22948906) is 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole.
What is the SMILES notation for 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole?
The canonical SMILES for 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole is Cc1c(C)c(C)c2c(c(C)nn2Cc2ncn(C)n2)c1C.
What is the InChIKey of 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole?
The InChIKey is VJTWGMRHVWYLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-9-10(2)12(4)16-15(11(9)3)13(5)18-21(16)7-14-17-8-20(6)19-14/h8H,7H2,1-6H3.
What are the key properties of 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole?
3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole has a molecular weight of 283.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6,7-pentamethyl-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]indazole is sourced from PubChem (CID 22948906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).