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

C15H24N6O — CID 167851133

IUPAC2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Cn1c(Cc2ccn[nH]2)nnc1N1CCOC(C)C1
InChIInChI=1S/C15H24N6O/c1-11(2)9-21-14(8-13-4-5-16-17-13)18-19-15(21)20-6-7-22-12(3)10-20/h4-5,11-12H,6-10H2,1-3H3,(H,16,17)
InChIKeyPJXNQTYMZJBSOQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.47
Rot. Bonds5

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

2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 167851133) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID167851133
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Cn1c(Cc2ccn[nH]2)nnc1N1CCOC(C)C1
InChIInChI=1S/C15H24N6O/c1-11(2)9-21-14(8-13-4-5-16-17-13)18-19-15(21)20-6-7-22-12(3)10-20/h4-5,11-12H,6-10H2,1-3H3,(H,16,17)
InChIKeyPJXNQTYMZJBSOQ-UHFFFAOYSA-N
XLogP1.47
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine (CID 167851133) is 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine is CC(C)Cn1c(Cc2ccn[nH]2)nnc1N1CCOC(C)C1.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is PJXNQTYMZJBSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11(2)9-21-14(8-13-4-5-16-17-13)18-19-15(21)20-6-7-22-12(3)10-20/h4-5,11-12H,6-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine?
2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 304.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)-5-(1H-pyrazol-5-ylmethyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 167851133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).