8-[(5-methyltetrazol-1-yl)methyl]quinoline

C12H11N5 — CID 75512940

IUPAC8-[(5-methyltetrazol-1-yl)methyl]quinoline
SMILESCc1nnnn1Cc1cccc2cccnc12
InChIInChI=1S/C12H11N5/c1-9-14-15-16-17(9)8-11-5-2-4-10-6-3-7-13-12(10)11/h2-7H,8H2,1H3
InChIKeyRFCQVOZBENGARL-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.58
Rot. Bonds2

About 8-[(5-methyltetrazol-1-yl)methyl]quinoline

8-[(5-methyltetrazol-1-yl)methyl]quinoline (PubChem CID 75512940) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 8-[(5-methyltetrazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(5-methyltetrazol-1-yl)methyl]quinoline
PubChem CID75512940
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name8-[(5-methyltetrazol-1-yl)methyl]quinoline
SMILESCc1nnnn1Cc1cccc2cccnc12
InChIInChI=1S/C12H11N5/c1-9-14-15-16-17(9)8-11-5-2-4-10-6-3-7-13-12(10)11/h2-7H,8H2,1H3
InChIKeyRFCQVOZBENGARL-UHFFFAOYSA-N
XLogP1.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyltetrazol-1-yl)methyl]quinoline?
The IUPAC name of 8-[(5-methyltetrazol-1-yl)methyl]quinoline (CID 75512940) is 8-[(5-methyltetrazol-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(5-methyltetrazol-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(5-methyltetrazol-1-yl)methyl]quinoline is Cc1nnnn1Cc1cccc2cccnc12.
What is the InChIKey of 8-[(5-methyltetrazol-1-yl)methyl]quinoline?
The InChIKey is RFCQVOZBENGARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-9-14-15-16-17(9)8-11-5-2-4-10-6-3-7-13-12(10)11/h2-7H,8H2,1H3.
What are the key properties of 8-[(5-methyltetrazol-1-yl)methyl]quinoline?
8-[(5-methyltetrazol-1-yl)methyl]quinoline has a molecular weight of 225.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methyltetrazol-1-yl)methyl]quinoline is sourced from PubChem (CID 75512940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).