1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

C19H20N6 — CID 167807562

IUPAC1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2n[nH]c(Cc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C19H20N6/c1-25(2)12-13-3-6-15(7-4-13)19-21-18(23-24-19)10-14-5-8-16-11-20-22-17(16)9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyGNFBYIACBAGSIY-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 167807562) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID167807562
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2n[nH]c(Cc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C19H20N6/c1-25(2)12-13-3-6-15(7-4-13)19-21-18(23-24-19)10-14-5-8-16-11-20-22-17(16)9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyGNFBYIACBAGSIY-UHFFFAOYSA-N
XLogP3.00
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dimethylphenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 62539638
5-(1H-indazol-6-ylmethyl)-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 136539318
[4-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenyl]methanamine
CID 82568645
6-(pyridin-3-ylmethyl)-1H-indazole
CID 174925312
[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600441
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
4-[5-[(3,5-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568531
2-(1H-indazol-6-ylmethylimino)propanedinitrile
CID 167664068
6-[[2-(4-fluorophenyl)-5-methylpyrrol-1-yl]methyl]-1H-indazole
CID 151231214
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 167807562) is 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2n[nH]c(Cc3ccc4cn[nH]c4c3)n2)cc1.
What is the InChIKey of 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is GNFBYIACBAGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-25(2)12-13-3-6-15(7-4-13)19-21-18(23-24-19)10-14-5-8-16-11-20-22-17(16)9-14/h3-9,11H,10,12H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 332.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1H-indazol-6-ylmethyl)-1H-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167807562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).