cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

C19H23N5O3 — CID 135633603

IUPACcyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOc1ccc(C2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1
InChIInChI=1S/C19H23N5O3/c1-12-16(18(25)27-15-6-4-3-5-7-15)17(24-19(20-12)21-22-23-24)13-8-10-14(26-2)11-9-13/h8-11,15,17H,3-7H2,1-2H3,(H,20,21,23)
InChIKeyNOWUCPKQGSLFHW-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.85
Rot. Bonds4

About cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135633603) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namecyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135633603
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namecyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOc1ccc(C2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1
InChIInChI=1S/C19H23N5O3/c1-12-16(18(25)27-15-6-4-3-5-7-15)17(24-19(20-12)21-22-23-24)13-8-10-14(26-2)11-9-13/h8-11,15,17H,3-7H2,1-2H3,(H,20,21,23)
InChIKeyNOWUCPKQGSLFHW-UHFFFAOYSA-N
XLogP2.85
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135633603) is cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is COc1ccc(C2C(C(=O)OC3CCCCC3)=C(C)Nc3nnnn32)cc1.
What is the InChIKey of cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is NOWUCPKQGSLFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-16(18(25)27-15-6-4-3-5-7-15)17(24-19(20-12)21-22-23-24)13-8-10-14(26-2)11-9-13/h8-11,15,17H,3-7H2,1-2H3,(H,20,21,23).
What are the key properties of cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate?
cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135633603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).