2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine

C19H23N7O — CID 58883351

IUPAC2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
SMILESc1ccc(-n2cnc(Nc3ccnc(NCCN4CCOCC4)c3)n2)cc1
InChIInChI=1S/C19H23N7O/c1-2-4-17(5-3-1)26-15-22-19(24-26)23-16-6-7-20-18(14-16)21-8-9-25-10-12-27-13-11-25/h1-7,14-15H,8-13H2,(H2,20,21,23,24)
InChIKeyPGSPVYGZXQPZOX-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.15
Rot. Bonds7

About 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine

2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine (PubChem CID 58883351) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
PubChem CID58883351
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine
SMILESc1ccc(-n2cnc(Nc3ccnc(NCCN4CCOCC4)c3)n2)cc1
InChIInChI=1S/C19H23N7O/c1-2-4-17(5-3-1)26-15-22-19(24-26)23-16-6-7-20-18(14-16)21-8-9-25-10-12-27-13-11-25/h1-7,14-15H,8-13H2,(H2,20,21,23,24)
InChIKeyPGSPVYGZXQPZOX-UHFFFAOYSA-N
XLogP2.15
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine with MolForge

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Related Compounds

[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692504
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109168033
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 134589705
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
4-N-[2-(6-methoxy-2-pyridinyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 135262205

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine (CID 58883351) is 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine is c1ccc(-n2cnc(Nc3ccnc(NCCN4CCOCC4)c3)n2)cc1.
What is the InChIKey of 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
The InChIKey is PGSPVYGZXQPZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-2-4-17(5-3-1)26-15-22-19(24-26)23-16-6-7-20-18(14-16)21-8-9-25-10-12-27-13-11-25/h1-7,14-15H,8-13H2,(H2,20,21,23,24).
What are the key properties of 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine?
2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine has a molecular weight of 365.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-morpholin-4-ylethyl)-4-N-(1-phenyl-1,2,4-triazol-3-yl)pyridine-2,4-diamine is sourced from PubChem (CID 58883351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).