methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

C12H12N6O2 — CID 2791020

IUPACmethyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1cccnc1
InChIInChI=1S/C12H12N6O2/c1-7-9(11(19)20-2)10(8-4-3-5-13-6-8)18-12(14-7)15-16-17-18/h3-6,10H,1-2H3,(H,14,15,17)
InChIKeyRVDMSDFVRKXALC-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.53
Rot. Bonds2

About methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2791020) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2791020
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Namemethyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nnnn2C1c1cccnc1
InChIInChI=1S/C12H12N6O2/c1-7-9(11(19)20-2)10(8-4-3-5-13-6-8)18-12(14-7)15-16-17-18/h3-6,10H,1-2H3,(H,14,15,17)
InChIKeyRVDMSDFVRKXALC-UHFFFAOYSA-N
XLogP0.53
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2791020) is methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nnnn2C1c1cccnc1.
What is the InChIKey of methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RVDMSDFVRKXALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-7-9(11(19)20-2)10(8-4-3-5-13-6-8)18-12(14-7)15-16-17-18/h3-6,10H,1-2H3,(H,14,15,17).
What are the key properties of methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 272.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2791020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).