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

C10H13N7O2 — CID 80777731

IUPACmethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCNc1nc(NCC(=O)OC)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O2/c1-11-8-14-9(12-6-7(18)19-2)16-10(15-8)17-5-3-4-13-17/h3-5H,6H2,1-2H3,(H2,11,12,14,15,16)
InChIKeySIRPGNFTTOAPEA-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.32
Rot. Bonds5

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

methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 80777731) has the molecular formula C10H13N7O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
PubChem CID80777731
Molecular FormulaC10H13N7O2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Namemethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
SMILESCNc1nc(NCC(=O)OC)nc(-n2cccn2)n1
InChIInChI=1S/C10H13N7O2/c1-11-8-14-9(12-6-7(18)19-2)16-10(15-8)17-5-3-4-13-17/h3-5H,6H2,1-2H3,(H2,11,12,14,15,16)
InChIKeySIRPGNFTTOAPEA-UHFFFAOYSA-N
XLogP-0.32
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 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-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80789345
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
4-N-methyl-6-pyrazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80772803
methyl 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80873622
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106434069
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80796786
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate (CID 80777731) is methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate is CNc1nc(NCC(=O)OC)nc(-n2cccn2)n1.
What is the InChIKey of methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is SIRPGNFTTOAPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2/c1-11-8-14-9(12-6-7(18)19-2)16-10(15-8)17-5-3-4-13-17/h3-5H,6H2,1-2H3,(H2,11,12,14,15,16).
What are the key properties of methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 263.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 80777731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).