1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile

C9H14N6 — CID 107042905

IUPAC1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
SMILESCn1nnc(CN2CCCCC2C#N)n1
InChIInChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-5-3-2-4-8(15)6-10/h8H,2-5,7H2,1H3
InChIKeyWWXQYNYKHUWBOM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.09
Rot. Bonds2

About 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile

1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile (PubChem CID 107042905) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
PubChem CID107042905
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile
SMILESCn1nnc(CN2CCCCC2C#N)n1
InChIInChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-5-3-2-4-8(15)6-10/h8H,2-5,7H2,1H3
InChIKeyWWXQYNYKHUWBOM-UHFFFAOYSA-N
XLogP0.09
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
CID 107042907
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580
[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107052540
2-methyl-5-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]tetrazole
CID 107045229
1-(trimethylsilylmethyl)piperidine-2-carbonitrile
CID 101060523
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107043572
3-methyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazepane
CID 107056207
3-bromo-5-[1-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyridine
CID 146139589
1-pent-3-ynylpyrrolidine-2-carbonitrile
CID 104807705
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile (CID 107042905) is 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile is Cn1nnc(CN2CCCCC2C#N)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile?
The InChIKey is WWXQYNYKHUWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-5-3-2-4-8(15)6-10/h8H,2-5,7H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile?
1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]piperidine-2-carbonitrile is sourced from PubChem (CID 107042905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).