(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H15N5 — CID 686429

IUPAC(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C17H15N5/c1-12-7-9-13(10-8-12)15-11-16(14-5-3-2-4-6-14)22-17(18-15)19-20-21-22/h2-11,16H,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyYUGWSKHHRBRUNI-INIZCTEOSA-N
MW289.34 g/mol
LogP3.04
Rot. Bonds2

About (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 686429) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID686429
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1
InChIInChI=1S/C17H15N5/c1-12-7-9-13(10-8-12)15-11-16(14-5-3-2-4-6-14)22-17(18-15)19-20-21-22/h2-11,16H,1H3,(H,18,19,21)/t16-/m0/s1
InChIKeyYUGWSKHHRBRUNI-INIZCTEOSA-N
XLogP3.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736455
5-(4-chlorophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3464812
(7R)-5-(4-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686428
7-(3-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4586822
(7S)-5-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736316
7-(4-ethoxyphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 662198
5-(4-chlorophenyl)-7-(3-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4074380
(7S)-7-[4-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736643
(7R)-5-(3-bromophenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 1251261
5-(3-methoxyphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 661596
(7S)-5-(1,3-benzodioxol-5-yl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135928058
(7R)-7-(3-bromo-4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 136736406

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 686429) is (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1.
What is the InChIKey of (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is YUGWSKHHRBRUNI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-7-9-13(10-8-12)15-11-16(14-5-3-2-4-6-14)22-17(18-15)19-20-21-22/h2-11,16H,1H3,(H,18,19,21)/t16-/m0/s1.
What are the key properties of (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 289.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 686429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).