5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C23H24N10O — CID 71735711

IUPAC5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2ncc3nc(Nc4ccc(N5CCOCC5)cc4)nn3c2-c2cnn(C)c2)cn1
InChIInChI=1S/C23H24N10O/c1-30-14-16(11-25-30)21-22(17-12-26-31(2)15-17)33-20(13-24-21)28-23(29-33)27-18-3-5-19(6-4-18)32-7-9-34-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H,27,29)
InChIKeyMMBZMWDNDWMCRX-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.51
Rot. Bonds5

About 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 71735711) has the molecular formula C23H24N10O and a molecular weight of 456.51 g/mol. Its IUPAC name is 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID71735711
Molecular FormulaC23H24N10O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESCn1cc(-c2ncc3nc(Nc4ccc(N5CCOCC5)cc4)nn3c2-c2cnn(C)c2)cn1
InChIInChI=1S/C23H24N10O/c1-30-14-16(11-25-30)21-22(17-12-26-31(2)15-17)33-20(13-24-21)28-23(29-33)27-18-3-5-19(6-4-18)32-7-9-34-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H,27,29)
InChIKeyMMBZMWDNDWMCRX-UHFFFAOYSA-N
XLogP2.51
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 71735711) is 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Cn1cc(-c2ncc3nc(Nc4ccc(N5CCOCC5)cc4)nn3c2-c2cnn(C)c2)cn1.
What is the InChIKey of 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is MMBZMWDNDWMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10O/c1-30-14-16(11-25-30)21-22(17-12-26-31(2)15-17)33-20(13-24-21)28-23(29-33)27-18-3-5-19(6-4-18)32-7-9-34-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H,27,29).
What are the key properties of 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 456.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 71735711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).