8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C20H20N6O — CID 59612554

IUPAC8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCOc1cccc(CNc2cccn3nc(Nc4ccnc(C)c4)nc23)c1
InChIInChI=1S/C20H20N6O/c1-14-11-16(8-9-21-14)23-20-24-19-18(7-4-10-26(19)25-20)22-13-15-5-3-6-17(12-15)27-2/h3-12,22H,13H2,1-2H3,(H,21,23,25)
InChIKeyVCRMGZNTSMXXAG-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.80
Rot. Bonds6

About 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 59612554) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID59612554
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCOc1cccc(CNc2cccn3nc(Nc4ccnc(C)c4)nc23)c1
InChIInChI=1S/C20H20N6O/c1-14-11-16(8-9-21-14)23-20-24-19-18(7-4-10-26(19)25-20)22-13-15-5-3-6-17(12-15)27-2/h3-12,22H,13H2,1-2H3,(H,21,23,25)
InChIKeyVCRMGZNTSMXXAG-UHFFFAOYSA-N
XLogP3.80
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 59612554) is 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is COc1cccc(CNc2cccn3nc(Nc4ccnc(C)c4)nc23)c1.
What is the InChIKey of 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is VCRMGZNTSMXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14-11-16(8-9-21-14)23-20-24-19-18(7-4-10-26(19)25-20)22-13-15-5-3-6-17(12-15)27-2/h3-12,22H,13H2,1-2H3,(H,21,23,25).
What are the key properties of 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 360.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-methoxyphenyl)methyl]-2-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 59612554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).