1-(2-quinolin-8-ylethyl)tetrazol-5-amine

C12H12N6 — CID 81423181

IUPAC1-(2-quinolin-8-ylethyl)tetrazol-5-amine
SMILESNc1nnnn1CCc1cccc2cccnc12
InChIInChI=1S/C12H12N6/c13-12-15-16-17-18(12)8-6-10-4-1-3-9-5-2-7-14-11(9)10/h1-5,7H,6,8H2,(H2,13,15,17)
InChIKeyLXAXDJQNABLPMB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.05
Rot. Bonds3

About 1-(2-quinolin-8-ylethyl)tetrazol-5-amine

1-(2-quinolin-8-ylethyl)tetrazol-5-amine (PubChem CID 81423181) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(2-quinolin-8-ylethyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-quinolin-8-ylethyl)tetrazol-5-amine
PubChem CID81423181
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1-(2-quinolin-8-ylethyl)tetrazol-5-amine
SMILESNc1nnnn1CCc1cccc2cccnc12
InChIInChI=1S/C12H12N6/c13-12-15-16-17-18(12)8-6-10-4-1-3-9-5-2-7-14-11(9)10/h1-5,7H,6,8H2,(H2,13,15,17)
InChIKeyLXAXDJQNABLPMB-UHFFFAOYSA-N
XLogP1.05
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
4-(2-quinolin-8-ylethyl)piperazine-2,6-dione
CID 81424068
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
1-(2-quinolin-8-ylethyl)pyrrole-2-carboxylic acid
CID 81423377
1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
1-(2-quinolin-8-ylethyl)-1,3-diazinane-2,4-dione
CID 81423387
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
aluminum quinolin-8-ylmethanol
CID 23124809

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinolin-8-ylethyl)tetrazol-5-amine?
The IUPAC name of 1-(2-quinolin-8-ylethyl)tetrazol-5-amine (CID 81423181) is 1-(2-quinolin-8-ylethyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-quinolin-8-ylethyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-quinolin-8-ylethyl)tetrazol-5-amine is Nc1nnnn1CCc1cccc2cccnc12.
What is the InChIKey of 1-(2-quinolin-8-ylethyl)tetrazol-5-amine?
The InChIKey is LXAXDJQNABLPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-12-15-16-17-18(12)8-6-10-4-1-3-9-5-2-7-14-11(9)10/h1-5,7H,6,8H2,(H2,13,15,17).
What are the key properties of 1-(2-quinolin-8-ylethyl)tetrazol-5-amine?
1-(2-quinolin-8-ylethyl)tetrazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinolin-8-ylethyl)tetrazol-5-amine is sourced from PubChem (CID 81423181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).