7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C19H19N7 — CID 18313647

IUPAC7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCC(C)Nc1ccc(-c2cc(N)n3nc(-c4ccccn4)nc3c2)cn1
InChIInChI=1S/C19H19N7/c1-12(2)23-17-7-6-13(11-22-17)14-9-16(20)26-18(10-14)24-19(25-26)15-5-3-4-8-21-15/h3-12H,20H2,1-2H3,(H,22,23)
InChIKeyWGHCUBUXPQXITI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.26
Rot. Bonds4

About 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313647) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313647
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCC(C)Nc1ccc(-c2cc(N)n3nc(-c4ccccn4)nc3c2)cn1
InChIInChI=1S/C19H19N7/c1-12(2)23-17-7-6-13(11-22-17)14-9-16(20)26-18(10-14)24-19(25-26)15-5-3-4-8-21-15/h3-12H,20H2,1-2H3,(H,22,23)
InChIKeyWGHCUBUXPQXITI-UHFFFAOYSA-N
XLogP3.26
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313647) is 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is CC(C)Nc1ccc(-c2cc(N)n3nc(-c4ccccn4)nc3c2)cn1.
What is the InChIKey of 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is WGHCUBUXPQXITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-12(2)23-17-7-6-13(11-22-17)14-9-16(20)26-18(10-14)24-19(25-26)15-5-3-4-8-21-15/h3-12H,20H2,1-2H3,(H,22,23).
What are the key properties of 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 345.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(propan-2-ylamino)-3-pyridinyl]-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).