(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C16H19FN6O — CID 135591582

IUPAC(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN6O/c1-4-22(5-2)15(24)13-10(3)18-16-19-20-21-23(16)14(13)11-6-8-12(17)9-7-11/h6-9,14H,4-5H2,1-3H3,(H,18,19,21)/t14-/m1/s1
InChIKeyUNEKTBRZFFCZPT-CQSZACIVSA-N
MW330.37 g/mol
LogP1.97
Rot. Bonds4

About (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135591582) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135591582
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C16H19FN6O/c1-4-22(5-2)15(24)13-10(3)18-16-19-20-21-23(16)14(13)11-6-8-12(17)9-7-11/h6-9,14H,4-5H2,1-3H3,(H,18,19,21)/t14-/m1/s1
InChIKeyUNEKTBRZFFCZPT-CQSZACIVSA-N
XLogP1.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135591582) is (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UNEKTBRZFFCZPT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19FN6O/c1-4-22(5-2)15(24)13-10(3)18-16-19-20-21-23(16)14(13)11-6-8-12(17)9-7-11/h6-9,14H,4-5H2,1-3H3,(H,18,19,21)/t14-/m1/s1.
What are the key properties of (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N,N-diethyl-7-(4-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).