5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C19H18ClN5O3 — CID 3525349

IUPAC5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC
InChIInChI=1S/C19H18ClN5O3/c1-26-16-8-12(9-17(27-2)18(16)28-3)15-10-14(11-4-6-13(20)7-5-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24)
InChIKeyACPIOBQJCNZEPH-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.41
Rot. Bonds5

About 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 3525349) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID3525349
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC
InChIInChI=1S/C19H18ClN5O3/c1-26-16-8-12(9-17(27-2)18(16)28-3)15-10-14(11-4-6-13(20)7-5-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24)
InChIKeyACPIOBQJCNZEPH-UHFFFAOYSA-N
XLogP3.41
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(7S)-5-(4-fluorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135603085
(7S)-5-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1088421
(7R)-5-(4-chlorophenyl)-7-(4-ethoxy-3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136852417
5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
5-(4-chlorophenyl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3383591
7-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3155612
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812
7-(4-chlorophenyl)-5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3149402
5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4074380
5-[5-(4-fluorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl]-2-methoxyphenol
CID 3551894
5-(4-methylphenyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135823275
(7R)-5-(4-methoxyphenyl)-7-(2,3,4-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736295

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 3525349) is 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1cc(C2C=C(c3ccc(Cl)cc3)Nc3nnnn32)cc(OC)c1OC.
What is the InChIKey of 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is ACPIOBQJCNZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-26-16-8-12(9-17(27-2)18(16)28-3)15-10-14(11-4-6-13(20)7-5-11)21-19-22-23-24-25(15)19/h4-10,15H,1-3H3,(H,21,22,24).
What are the key properties of 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 399.84 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3525349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).