7-(2-methyltetrazol-5-yl)isoquinoline

C11H9N5 — CID 171560087

IUPAC7-(2-methyltetrazol-5-yl)isoquinoline
SMILESCn1nnc(-c2ccc3ccncc3c2)n1
InChIInChI=1S/C11H9N5/c1-16-14-11(13-15-16)9-3-2-8-4-5-12-7-10(8)6-9/h2-7H,1H3
InChIKeyCZAFEBHCHRXWIU-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.43
Rot. Bonds1

About 7-(2-methyltetrazol-5-yl)isoquinoline

7-(2-methyltetrazol-5-yl)isoquinoline (PubChem CID 171560087) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 7-(2-methyltetrazol-5-yl)isoquinoline.

Molecular Properties

Compound Name7-(2-methyltetrazol-5-yl)isoquinoline
PubChem CID171560087
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name7-(2-methyltetrazol-5-yl)isoquinoline
SMILESCn1nnc(-c2ccc3ccncc3c2)n1
InChIInChI=1S/C11H9N5/c1-16-14-11(13-15-16)9-3-2-8-4-5-12-7-10(8)6-9/h2-7H,1H3
InChIKeyCZAFEBHCHRXWIU-UHFFFAOYSA-N
XLogP1.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyltetrazol-5-yl)isoquinoline?
The IUPAC name of 7-(2-methyltetrazol-5-yl)isoquinoline (CID 171560087) is 7-(2-methyltetrazol-5-yl)isoquinoline.
What is the SMILES notation for 7-(2-methyltetrazol-5-yl)isoquinoline?
The canonical SMILES for 7-(2-methyltetrazol-5-yl)isoquinoline is Cn1nnc(-c2ccc3ccncc3c2)n1.
What is the InChIKey of 7-(2-methyltetrazol-5-yl)isoquinoline?
The InChIKey is CZAFEBHCHRXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-16-14-11(13-15-16)9-3-2-8-4-5-12-7-10(8)6-9/h2-7H,1H3.
What are the key properties of 7-(2-methyltetrazol-5-yl)isoquinoline?
7-(2-methyltetrazol-5-yl)isoquinoline has a molecular weight of 211.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyltetrazol-5-yl)isoquinoline is sourced from PubChem (CID 171560087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).