(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C18H17N5 — CID 136736455

IUPAC(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@@H](c3cccc(C)c3)n3nnnc3N2)cc1
InChIInChI=1S/C18H17N5/c1-12-6-8-14(9-7-12)16-11-17(15-5-3-4-13(2)10-15)23-18(19-16)20-21-22-23/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyFSHFPOCHMVDCKQ-KRWDZBQOSA-N
MW303.37 g/mol
LogP3.35
Rot. Bonds2

About (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136736455) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID136736455
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCc1ccc(C2=C[C@@H](c3cccc(C)c3)n3nnnc3N2)cc1
InChIInChI=1S/C18H17N5/c1-12-6-8-14(9-7-12)16-11-17(15-5-3-4-13(2)10-15)23-18(19-16)20-21-22-23/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1
InChIKeyFSHFPOCHMVDCKQ-KRWDZBQOSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 136736455) is (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is Cc1ccc(C2=C[C@@H](c3cccc(C)c3)n3nnnc3N2)cc1.
What is the InChIKey of (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FSHFPOCHMVDCKQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N5/c1-12-6-8-14(9-7-12)16-11-17(15-5-3-4-13(2)10-15)23-18(19-16)20-21-22-23/h3-11,17H,1-2H3,(H,19,20,22)/t17-/m0/s1.
What are the key properties of (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
(7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-methylphenyl)-5-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136736455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).