2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

C13H17N5O2 — CID 114797795

IUPAC2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(-n2nc(N3CCOCC3)nc2N)c1
InChIInChI=1S/C13H17N5O2/c1-19-11-4-2-3-10(9-11)18-12(14)15-13(16-18)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3,(H2,14,15,16)
InChIKeyRPSSRSFZENHYAC-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine

2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (PubChem CID 114797795) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
PubChem CID114797795
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
SMILESCOc1cccc(-n2nc(N3CCOCC3)nc2N)c1
InChIInChI=1S/C13H17N5O2/c1-19-11-4-2-3-10(9-11)18-12(14)15-13(16-18)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3,(H2,14,15,16)
InChIKeyRPSSRSFZENHYAC-UHFFFAOYSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790
1-(3-methoxyphenyl)-3-N-phenyl-1,2,4-triazole-3,5-diamine
CID 58976009
2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 104508479
5-methyl-2-(3-morpholin-4-ylphenyl)pyrazol-3-amine
CID 126743353
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
4-[4-(3-methoxyphenyl)-6-[(E)-prop-1-enyl]pyrimidin-2-yl]morpholine
CID 70857113
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
3-methoxy-5-(1,4-oxazepan-4-yl)aniline
CID 80735841
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine (CID 114797795) is 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is COc1cccc(-n2nc(N3CCOCC3)nc2N)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is RPSSRSFZENHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-11-4-2-3-10(9-11)18-12(14)15-13(16-18)17-5-7-20-8-6-17/h2-4,9H,5-8H2,1H3,(H2,14,15,16).
What are the key properties of 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine?
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 275.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 114797795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).