5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide

C12H15N5O — CID 169403261

IUPAC5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESCN(C)Cc1cccc(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-17(2)7-8-4-3-5-9(6-8)10-11(12(13)18)15-16-14-10/h3-6H,7H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyTVODYAVAZFZJDM-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.63
Rot. Bonds4

About 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide

5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403261) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403261
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
SMILESCN(C)Cc1cccc(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-17(2)7-8-4-3-5-9(6-8)10-11(12(13)18)15-16-14-10/h3-6H,7H2,1-2H3,(H2,13,18)(H,14,15,16)
InChIKeyTVODYAVAZFZJDM-UHFFFAOYSA-N
XLogP0.63
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
CID 67802565
5-[3-(furan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 169402380
5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 169404665
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-(3,5-dihydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402317
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide (CID 169403261) is 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide is CN(C)Cc1cccc(-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is TVODYAVAZFZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(2)7-8-4-3-5-9(6-8)10-11(12(13)18)15-16-14-10/h3-6H,7H2,1-2H3,(H2,13,18)(H,14,15,16).
What are the key properties of 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide?
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).