(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine

C22H24N8O — CID 142437689

IUPAC(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(N2CCOCC2)n2nc(-c3ccncc3)nc2n1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C14H15N7O.C8H9N/c15-11-9-12(20-5-7-22-8-6-20)21-14(17-11)18-13(19-21)10-1-3-16-4-2-10;1-7-3-2-4-8(5-7)6-9/h1-4,9H,5-8H2,(H2,15,17,18,19);2-6,9H,1H3/b;9-6+
InChIKeyORERNSTZAPIQJG-RRJFPGPQSA-N
MW416.49 g/mol
LogP2.60
Rot. Bonds3

About (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine

(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (PubChem CID 142437689) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
PubChem CID142437689
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
SMILESNc1cc(N2CCOCC2)n2nc(-c3ccncc3)nc2n1.[H]/N=C/c1cccc(C)c1
InChIInChI=1S/C14H15N7O.C8H9N/c15-11-9-12(20-5-7-22-8-6-20)21-14(17-11)18-13(19-21)10-1-3-16-4-2-10;1-7-3-2-4-8(5-7)6-9/h1-4,9H,5-8H2,(H2,15,17,18,19);2-6,9H,1H3/b;9-6+
InChIKeyORERNSTZAPIQJG-RRJFPGPQSA-N
XLogP2.60
TPSA118.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 135338462
N-[[7-(2,6-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine
CID 158646466
2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine
CID 145170671
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
CID 171463185
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980
2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814765
2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 67064608
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine (CID 142437689) is (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is Nc1cc(N2CCOCC2)n2nc(-c3ccncc3)nc2n1.[H]/N=C/c1cccc(C)c1.
What is the InChIKey of (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ORERNSTZAPIQJG-RRJFPGPQSA-N. The full InChI is InChI=1S/C14H15N7O.C8H9N/c15-11-9-12(20-5-7-22-8-6-20)21-14(17-11)18-13(19-21)10-1-3-16-4-2-10;1-7-3-2-4-8(5-7)6-9/h1-4,9H,5-8H2,(H2,15,17,18,19);2-6,9H,1H3/b;9-6+.
What are the key properties of (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine?
(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 416.49 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 142437689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).