2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C16H18N6O2 — CID 82555861

IUPAC2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN(C)c1ccc(CNc2cc(C(=O)O)c3nc(N)nn3c2)cc1
InChIInChI=1S/C16H18N6O2/c1-21(2)12-5-3-10(4-6-12)8-18-11-7-13(15(23)24)14-19-16(17)20-22(14)9-11/h3-7,9,18H,8H2,1-2H3,(H2,17,20)(H,23,24)
InChIKeyABABHWHHOSGZSF-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82555861) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82555861
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN(C)c1ccc(CNc2cc(C(=O)O)c3nc(N)nn3c2)cc1
InChIInChI=1S/C16H18N6O2/c1-21(2)12-5-3-10(4-6-12)8-18-11-7-13(15(23)24)14-19-16(17)20-22(14)9-11/h3-7,9,18H,8H2,1-2H3,(H2,17,20)(H,23,24)
InChIKeyABABHWHHOSGZSF-UHFFFAOYSA-N
XLogP1.69
TPSA108.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82556742
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096
2-[4-[[4-(dimethylamino)phenyl]methylamino]phenyl]acetamide
CID 43724056
2-butoxy-4-[[4-(dimethylamino)phenyl]methylamino]pyrimidine-5-carboxylic acid
CID 178100026
methyl 5-[[4-(dimethylamino)phenyl]methylamino]-2-nitrobenzoate
CID 36575420
2-amino-5-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 106899340
4-[[4-(dimethylamino)anilino]methyl]-N-methylbenzamide
CID 60985488
1-N-[[4-(dimethylamino)phenyl]methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538778
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
[5-[[4-(dimethylamino)phenyl]methylamino]-3-phenyl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3911196

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82555861) is 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CN(C)c1ccc(CNc2cc(C(=O)O)c3nc(N)nn3c2)cc1.
What is the InChIKey of 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is ABABHWHHOSGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(2)12-5-3-10(4-6-12)8-18-11-7-13(15(23)24)14-19-16(17)20-22(14)9-11/h3-7,9,18H,8H2,1-2H3,(H2,17,20)(H,23,24).
What are the key properties of 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82555861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).