methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate

C14H15N5O2 — CID 112939431

IUPACmethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnnc(NC3CC3)n2)cc1
InChIInChI=1S/C14H15N5O2/c1-21-13(20)9-2-4-10(5-3-9)16-12-8-15-19-14(18-12)17-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyZIQNQDSRPLRFQY-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.98
Rot. Bonds5

About methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate

methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate (PubChem CID 112939431) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate
PubChem CID112939431
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Namemethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnnc(NC3CC3)n2)cc1
InChIInChI=1S/C14H15N5O2/c1-21-13(20)9-2-4-10(5-3-9)16-12-8-15-19-14(18-12)17-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyZIQNQDSRPLRFQY-UHFFFAOYSA-N
XLogP1.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112963518
methyl 4-[[3-(2-methylpropylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112940603
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586
methyl 4-[[5-(4-ethoxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967580
methyl 4-[[5-(propan-2-ylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112938838
methyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884257
methyl 3-[[3-(4-acetylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112968437
methyl 4-[[3-(2-phenylethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112953044
3-N-cycloheptyl-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959280
methyl 4-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112956449
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
methyl 4-[[5-(oxolan-2-ylmethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112944478

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate?
The IUPAC name of methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate (CID 112939431) is methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate is COC(=O)c1ccc(Nc2cnnc(NC3CC3)n2)cc1.
What is the InChIKey of methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate?
The InChIKey is ZIQNQDSRPLRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-13(20)9-2-4-10(5-3-9)16-12-8-15-19-14(18-12)17-11-6-7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate?
methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate has a molecular weight of 285.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]benzoate is sourced from PubChem (CID 112939431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).