3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

C19H16N6O — CID 71457443

IUPAC3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(-n4cncn4)cc3)cnc2N)cn1
InChIInChI=1S/C19H16N6O/c1-26-18-7-4-14(9-22-18)17-8-15(10-23-19(17)20)13-2-5-16(6-3-13)25-12-21-11-24-25/h2-12H,1H3,(H2,20,23)
InChIKeyMLXLESBKNZJCJA-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.98
Rot. Bonds4

About 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (PubChem CID 71457443) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
PubChem CID71457443
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(-n4cncn4)cc3)cnc2N)cn1
InChIInChI=1S/C19H16N6O/c1-26-18-7-4-14(9-22-18)17-8-15(10-23-19(17)20)13-2-5-16(6-3-13)25-12-21-11-24-25/h2-12H,1H3,(H2,20,23)
InChIKeyMLXLESBKNZJCJA-UHFFFAOYSA-N
XLogP2.98
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine (CID 71457443) is 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is COc1ccc(-c2cc(-c3ccc(-n4cncn4)cc3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
The InChIKey is MLXLESBKNZJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-26-18-7-4-14(9-22-18)17-8-15(10-23-19(17)20)13-2-5-16(6-3-13)25-12-21-11-24-25/h2-12H,1H3,(H2,20,23).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine has a molecular weight of 344.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-[4-(1,2,4-triazol-1-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 71457443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).