4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one

C17H19N7O2 — CID 58976962

IUPAC4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1cc[nH]c(=O)c1
InChIInChI=1S/C17H19N7O2/c18-16-21-17(22-24(16)14-5-6-19-15(25)11-14)20-12-1-3-13(4-2-12)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H,19,25)(H3,18,20,21,22)
InChIKeyNOCRVPQIBCMALE-UHFFFAOYSA-N
MW353.39 g/mol
LogP1.12
Rot. Bonds4

About 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one

4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one (PubChem CID 58976962) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one
PubChem CID58976962
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC Name4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one
SMILESNc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1cc[nH]c(=O)c1
InChIInChI=1S/C17H19N7O2/c18-16-21-17(22-24(16)14-5-6-19-15(25)11-14)20-12-1-3-13(4-2-12)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H,19,25)(H3,18,20,21,22)
InChIKeyNOCRVPQIBCMALE-UHFFFAOYSA-N
XLogP1.12
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344
1-(6-methyl-2-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976097
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976675
ethyl 4-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 58976640
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
1-[4-[6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]-1,4-diazepan-1-yl]butane-1,3-dione
CID 25242525
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976897
1-[6-[(2,5-dichlorophenyl)methylamino]pyrimidin-4-yl]-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 58976410
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
3-N-(4-piperazin-1-ylphenyl)-1-pyrimidin-4-yl-1,2,4-triazole-3,5-diamine
CID 58976203

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one (CID 58976962) is 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one is Nc1nc(Nc2ccc(N3CCOCC3)cc2)nn1-c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one?
The InChIKey is NOCRVPQIBCMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c18-16-21-17(22-24(16)14-5-6-19-15(25)11-14)20-12-1-3-13(4-2-12)23-7-9-26-10-8-23/h1-6,11H,7-10H2,(H,19,25)(H3,18,20,21,22).
What are the key properties of 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one?
4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one has a molecular weight of 353.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58976962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).