methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate

C10H14N6O2 — CID 62006910

IUPACmethyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1cncc2nnnn12
InChIInChI=1S/C10H14N6O2/c1-7(10(17)18-3)6-15(2)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,6H2,1-3H3
InChIKeyBQSHODFTZSBINP-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.24
Rot. Bonds4

About methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate

methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate (PubChem CID 62006910) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate
PubChem CID62006910
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1cncc2nnnn12
InChIInChI=1S/C10H14N6O2/c1-7(10(17)18-3)6-15(2)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,6H2,1-3H3
InChIKeyBQSHODFTZSBINP-UHFFFAOYSA-N
XLogP-0.24
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate (CID 62006910) is methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate is COC(=O)C(C)CN(C)c1cncc2nnnn12.
What is the InChIKey of methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate?
The InChIKey is BQSHODFTZSBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7(10(17)18-3)6-15(2)9-5-11-4-8-12-13-14-16(8)9/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate?
methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate has a molecular weight of 250.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(tetrazolo[1,5-a]pyrazin-5-yl)amino]propanoate is sourced from PubChem (CID 62006910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).