5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H19N7 — CID 59276419

IUPAC5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCNCc1nc2ccc(-c3cccc4nc(Nc5ccccc5)nn34)cc2[nH]1
InChIInChI=1S/C21H19N7/c1-22-13-19-24-16-11-10-14(12-17(16)25-19)18-8-5-9-20-26-21(27-28(18)20)23-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyUAVAGEMFKUZFGG-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.74
Rot. Bonds5

About 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59276419) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59276419
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCNCc1nc2ccc(-c3cccc4nc(Nc5ccccc5)nn34)cc2[nH]1
InChIInChI=1S/C21H19N7/c1-22-13-19-24-16-11-10-14(12-17(16)25-19)18-8-5-9-20-26-21(27-28(18)20)23-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyUAVAGEMFKUZFGG-UHFFFAOYSA-N
XLogP3.74
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276399
5-[2-(chloromethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68587338
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 44625185
3-[2-[(2-methyl-3H-benzimidazol-5-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol
CID 59276672
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
5-[2-(1-methoxyethyl)-3H-benzimidazol-5-yl]-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276660
N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276547
5-(3-chloro-4-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186392
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589968
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
CID 90908307
ethyl 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzenecarboximidate
CID 68587733
5-(furan-3-yl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276394

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59276419) is 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CNCc1nc2ccc(-c3cccc4nc(Nc5ccccc5)nn34)cc2[nH]1.
What is the InChIKey of 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UAVAGEMFKUZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-22-13-19-24-16-11-10-14(12-17(16)25-19)18-8-5-9-20-26-21(27-28(18)20)23-15-6-3-2-4-7-15/h2-12,22H,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylaminomethyl)-3H-benzimidazol-5-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59276419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).