4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine

C16H18N6O — CID 72897554

IUPAC4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(-c2ccc(-n3cccn3)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H18N6O/c1-20-16(21-9-11-23-12-10-21)18-15(19-20)13-3-5-14(6-4-13)22-8-2-7-17-22/h2-8H,9-12H2,1H3
InChIKeyITUQUSKNPFPTLM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.50
Rot. Bonds3

About 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine

4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 72897554) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID72897554
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine
SMILESCn1nc(-c2ccc(-n3cccn3)cc2)nc1N1CCOCC1
InChIInChI=1S/C16H18N6O/c1-20-16(21-9-11-23-12-10-21)18-15(19-20)13-3-5-14(6-4-13)22-8-2-7-17-22/h2-8H,9-12H2,1H3
InChIKeyITUQUSKNPFPTLM-UHFFFAOYSA-N
XLogP1.50
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 72842375
5-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 72919049
N,N-dimethyl-3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 155914199
4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 1378888
1-[2-methyl-5-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]piperidine
CID 72873150
4-[5-(2-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 121498404
4-(5-bromo-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 51000286
4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethyl]morpholine
CID 75435194
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 28766485
4-[2-(1,3-dioxan-2-yl)ethyl]-2-(4-pyrazol-1-ylphenyl)pyrimidine
CID 175487726
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863425

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine (CID 72897554) is 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine is Cn1nc(-c2ccc(-n3cccn3)cc2)nc1N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is ITUQUSKNPFPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-20-16(21-9-11-23-12-10-21)18-15(19-20)13-3-5-14(6-4-13)22-8-2-7-17-22/h2-8H,9-12H2,1H3.
What are the key properties of 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine?
4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 310.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(4-pyrazol-1-ylphenyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 72897554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).