ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate

C11H15N7O2 — CID 80789345

IUPACethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7O2/c1-3-20-8(19)7-13-10-15-9(12-2)16-11(17-10)18-6-4-5-14-18/h4-6H,3,7H2,1-2H3,(H2,12,13,15,16,17)
InChIKeyVETCLEGROWDKIN-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.07
Rot. Bonds6

About ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 80789345) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
PubChem CID80789345
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)nc(-n2cccn2)n1
InChIInChI=1S/C11H15N7O2/c1-3-20-8(19)7-13-10-15-9(12-2)16-11(17-10)18-6-4-5-14-18/h4-6H,3,7H2,1-2H3,(H2,12,13,15,16,17)
InChIKeyVETCLEGROWDKIN-UHFFFAOYSA-N
XLogP0.07
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80777731
ethyl 3-[[4-[(4-fluorophenyl)methylamino]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanoate
CID 164595937
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813787
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80792547
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
4-N-methyl-6-pyrazol-1-yl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80772976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate (CID 80789345) is ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(NC)nc(-n2cccn2)n1.
What is the InChIKey of ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is VETCLEGROWDKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-3-20-8(19)7-13-10-15-9(12-2)16-11(17-10)18-6-4-5-14-18/h4-6H,3,7H2,1-2H3,(H2,12,13,15,16,17).
What are the key properties of ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 277.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 80789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).