7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H24N8O — CID 122182833

IUPAC7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21
InChIInChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1
InChIKeyANVXHXGEVYBTKN-CQSZACIVSA-N
MW404.48 g/mol
LogP1.97
Rot. Bonds4

About 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 122182833) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID122182833
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21
InChIInChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1
InChIKeyANVXHXGEVYBTKN-CQSZACIVSA-N
XLogP1.97
TPSA97.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 122182833) is 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccnc4)C[C@H]3C)nc21.
What is the InChIKey of 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is ANVXHXGEVYBTKN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N8O/c1-14-12-28(15-5-4-8-23-11-15)10-9-27(14)13-18-24-20-16-6-3-7-17(30-2)19(16)25-21(22)29(20)26-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,22,25)/t14-/m1/s1.
What are the key properties of 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 404.48 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[[(2R)-2-methyl-4-pyridin-3-ylpiperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 122182833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).