1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine

C19H14N8 — CID 154446110

IUPAC1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3cnc4ncnc-4c3)cc2)c1
InChIInChI=1S/C19H14N8/c1-2-4-16(18-23-25-26-24-18)15(3-1)14-7-5-13(6-8-14)9-27-10-17-19(22-12-27)21-11-20-17/h1-8,10-12H,9H2,(H,23,24,25,26)
InChIKeyPCGLJNXQHQPCOW-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.67
Rot. Bonds4

About 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine

1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine (PubChem CID 154446110) has the molecular formula C19H14N8 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine.

Molecular Properties

Compound Name1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
PubChem CID154446110
Molecular FormulaC19H14N8
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine
SMILESc1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3cnc4ncnc-4c3)cc2)c1
InChIInChI=1S/C19H14N8/c1-2-4-16(18-23-25-26-24-18)15(3-1)14-7-5-13(6-8-14)9-27-10-17-19(22-12-27)21-11-20-17/h1-8,10-12H,9H2,(H,23,24,25,26)
InChIKeyPCGLJNXQHQPCOW-UHFFFAOYSA-N
XLogP2.67
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 68636440
7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 139664861
2-phenyl-4-[2-(2H-tetrazol-5-yl)phenyl]-1,3,5-triazine
CID 173146131
5-methyl-4-[2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]hexan-2-amine
CID 54401913
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14987334
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzo[f]benzotriazole
CID 10835002
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
CID 67815987
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959
5-[2-[4-[[3,5-di(propan-2-yloxy)-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19903871
6-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 11795943

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine?
The IUPAC name of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine (CID 154446110) is 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine.
What is the SMILES notation for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine?
The canonical SMILES for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine is c1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3cnc4ncnc-4c3)cc2)c1.
What is the InChIKey of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine?
The InChIKey is PCGLJNXQHQPCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8/c1-2-4-16(18-23-25-26-24-18)15(3-1)14-7-5-13(6-8-14)9-27-10-17-19(22-12-27)21-11-20-17/h1-8,10-12H,9H2,(H,23,24,25,26).
What are the key properties of 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine?
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine has a molecular weight of 354.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine is sourced from PubChem (CID 154446110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).