2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline

C17H17N5 — CID 29029237

IUPAC2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(Cc1ccccc1-c1nn[nH]n1)C2
InChIInChI=1S/C17H17N5/c1-2-6-14-11-22(10-9-13(14)5-1)12-15-7-3-4-8-16(15)17-18-20-21-19-17/h1-8H,9-12H2,(H,18,19,20,21)
InChIKeyMQWJYPIOCAPINW-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.42
Rot. Bonds3

About 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline

2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 29029237) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID29029237
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESc1ccc2c(c1)CCN(Cc1ccccc1-c1nn[nH]n1)C2
InChIInChI=1S/C17H17N5/c1-2-6-14-11-22(10-9-13(14)5-1)12-15-7-3-4-8-16(15)17-18-20-21-19-17/h1-8H,9-12H2,(H,18,19,20,21)
InChIKeyMQWJYPIOCAPINW-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
1-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3-[[3-(trifluoromethyl)diazirin-3-yl]methyl]piperidine
CID 167874202
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 141136072
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
1-[[4-methyl-2-(2H-tetrazol-5-yl)phenyl]methyl]piperazine
CID 159710709
6-nitro-2-[4-[[2-(2H-tetrazol-5-yl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 167443894
2-[[2-(2-phenylethyl)-1H-pyrrol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 141135041
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
3-[3-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]phenyl]-2-methylquinolin-4-amine
CID 91534004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline (CID 29029237) is 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is c1ccc2c(c1)CCN(Cc1ccccc1-c1nn[nH]n1)C2.
What is the InChIKey of 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MQWJYPIOCAPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-6-14-11-22(10-9-13(14)5-1)12-15-7-3-4-8-16(15)17-18-20-21-19-17/h1-8H,9-12H2,(H,18,19,20,21).
What are the key properties of 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline?
2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 291.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 29029237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).