1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

C11H13N5 — CID 66875767

IUPAC1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(-c3nn[nH]n3)cccc21
InChIInChI=1S/C11H13N5/c1-7-8-3-2-4-10(9(8)5-6-12-7)11-13-15-16-14-11/h2-4,7,12H,5-6H2,1H3,(H,13,14,15,16)
InChIKeyASEKXELBHDBQRT-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.07
Rot. Bonds1

About 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66875767) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID66875767
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2c(-c3nn[nH]n3)cccc21
InChIInChI=1S/C11H13N5/c1-7-8-3-2-4-10(9(8)5-6-12-7)11-13-15-16-14-11/h2-4,7,12H,5-6H2,1H3,(H,13,14,15,16)
InChIKeyASEKXELBHDBQRT-UHFFFAOYSA-N
XLogP1.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
3,5-dimethyl-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2-oxazole
CID 66876139
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
4-methyl-1-[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3,4-dihydroquinolin-2-one
CID 67879410
2,6-dimethyl-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]isoquinolin-3-one
CID 66875848
4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)morpholine
CID 66875825
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
1-methyl-5-(2H-pyrimidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 141196501
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline (CID 66875767) is 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2c(-c3nn[nH]n3)cccc21.
What is the InChIKey of 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ASEKXELBHDBQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-8-3-2-4-10(9(8)5-6-12-7)11-13-15-16-14-11/h2-4,7,12H,5-6H2,1H3,(H,13,14,15,16).
What are the key properties of 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 215.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66875767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).