2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile

C15H16N6 — CID 71883676

IUPAC2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC(C)(C)c1nnnn1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H16N6/c1-15(2,3)14-17-18-19-21(14)10-11-9-20-7-5-4-6-13(20)12(11)8-16/h4-7,9H,10H2,1-3H3
InChIKeyIIOYYHJMCTUBMH-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.14
Rot. Bonds2

About 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile

2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile (PubChem CID 71883676) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile
PubChem CID71883676
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile
SMILESCC(C)(C)c1nnnn1Cc1cn2ccccc2c1C#N
InChIInChI=1S/C15H16N6/c1-15(2,3)14-17-18-19-21(14)10-11-9-20-7-5-4-6-13(20)12(11)8-16/h4-7,9H,10H2,1-3H3
InChIKeyIIOYYHJMCTUBMH-UHFFFAOYSA-N
XLogP2.14
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile (CID 71883676) is 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile is CC(C)(C)c1nnnn1Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile?
The InChIKey is IIOYYHJMCTUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-15(2,3)14-17-18-19-21(14)10-11-9-20-7-5-4-6-13(20)12(11)8-16/h4-7,9H,10H2,1-3H3.
What are the key properties of 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile?
2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile has a molecular weight of 280.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyltetrazol-1-yl)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 71883676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).