[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone

C20H21N5O3 — CID 134589705

IUPAC[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21N5O3/c1-27-18-13-15(7-8-17(18)19(26)24-9-11-28-12-10-24)22-20-21-14-25(23-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyMANGRVIUASHNJM-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.49
Rot. Bonds5

About [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone

[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 134589705) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
PubChem CID134589705
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21N5O3/c1-27-18-13-15(7-8-17(18)19(26)24-9-11-28-12-10-24)22-20-21-14-25(23-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyMANGRVIUASHNJM-UHFFFAOYSA-N
XLogP2.49
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589815
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
CID 134589468
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082
[4-(benzylamino)-2-methoxyphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 68579259
5-[[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 66659864
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
4-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)-2,3-dihydro-1,4-benzoxazin-7-amine
CID 134589998

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone (CID 134589705) is [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is COc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is MANGRVIUASHNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-27-18-13-15(7-8-17(18)19(26)24-9-11-28-12-10-24)22-20-21-14-25(23-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,23).
What are the key properties of [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone?
[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 379.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134589705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).