2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile

C13H13N5 — CID 107057356

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCn1nnc(CC2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C13H13N5/c1-18-16-12(15-17-18)8-13(9-14)6-10-4-2-3-5-11(10)7-13/h2-5H,6-8H2,1H3
InChIKeyDSBZHYYGBJGLCB-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.06
Rot. Bonds2

About 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 107057356) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID107057356
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCn1nnc(CC2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C13H13N5/c1-18-16-12(15-17-18)8-13(9-14)6-10-4-2-3-5-11(10)7-13/h2-5H,6-8H2,1H3
InChIKeyDSBZHYYGBJGLCB-UHFFFAOYSA-N
XLogP1.06
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 107057356) is 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile is Cn1nnc(CC2(C#N)Cc3ccccc3C2)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is DSBZHYYGBJGLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-16-12(15-17-18)8-13(9-14)6-10-4-2-3-5-11(10)7-13/h2-5H,6-8H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 107057356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).