methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

C11H11N5O3 — CID 2978175

IUPACmethyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1ccco1
InChIInChI=1S/C11H11N5O3/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15)
InChIKeyNWLADGLMUJKWIT-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.73
Rot. Bonds2

About methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2978175) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2978175
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Namemethyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1ccco1
InChIInChI=1S/C11H11N5O3/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15)
InChIKeyNWLADGLMUJKWIT-UHFFFAOYSA-N
XLogP0.73
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2978175) is methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nnnn2C1c1ccco1.
What is the InChIKey of methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NWLADGLMUJKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-6-8(10(17)18-2)9(7-4-3-5-19-7)16-11(12-6)13-14-15-16/h3-5,9H,1-2H3,(H,12,13,15).
What are the key properties of methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 261.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(furan-2-yl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2978175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).