N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C18H18N8O — CID 135979614

IUPACN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
InChIKeyWSPYBPVYCFYIRM-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.09
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 135979614) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID135979614
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESc1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1
InChIInChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22)
InChIKeyWSPYBPVYCFYIRM-UHFFFAOYSA-N
XLogP2.09
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 135979614) is N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is c1nc2c(Nc3ccc(N4CCOCC4)cc3)ncc(-c3cn[nH]c3)n2n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is WSPYBPVYCFYIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-3-15(25-5-7-27-8-6-25)4-2-14(1)24-17-18-20-12-23-26(18)16(11-19-17)13-9-21-22-10-13/h1-4,9-12H,5-8H2,(H,19,24)(H,21,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 362.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 135979614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).