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

C9H14N6 — CID 107042907

IUPAC1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
SMILESCn1nnc(CN2CCCC(C#N)C2)n1
InChIInChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-4-2-3-8(5-10)6-15/h8H,2-4,6-7H2,1H3
InChIKeyRDVUDKUVDGFDAK-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.05
Rot. Bonds2

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

1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile (PubChem CID 107042907) 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-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
PubChem CID107042907
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile
SMILESCn1nnc(CN2CCCC(C#N)C2)n1
InChIInChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-4-2-3-8(5-10)6-15/h8H,2-4,6-7H2,1H3
InChIKeyRDVUDKUVDGFDAK-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile (CID 107042907) is 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile is Cn1nnc(CN2CCCC(C#N)C2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile?
The InChIKey is RDVUDKUVDGFDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-12-9(11-13-14)7-15-4-2-3-8(5-10)6-15/h8H,2-4,6-7H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile?
1-[(2-methyltetrazol-5-yl)methyl]piperidine-3-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of -0.05, 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-3-carbonitrile is sourced from PubChem (CID 107042907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).