4-[(2-methyltetrazol-5-yl)methylidene]piperidine

C8H13N5 — CID 107058868

IUPAC4-[(2-methyltetrazol-5-yl)methylidene]piperidine
SMILESCn1nnc(C=C2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3
InChIKeyHMWFAUOEBLXQFV-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.02
Rot. Bonds1

About 4-[(2-methyltetrazol-5-yl)methylidene]piperidine

4-[(2-methyltetrazol-5-yl)methylidene]piperidine (PubChem CID 107058868) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-[(2-methyltetrazol-5-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(2-methyltetrazol-5-yl)methylidene]piperidine
PubChem CID107058868
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-[(2-methyltetrazol-5-yl)methylidene]piperidine
SMILESCn1nnc(C=C2CCNCC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3
InChIKeyHMWFAUOEBLXQFV-UHFFFAOYSA-N
XLogP-0.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The IUPAC name of 4-[(2-methyltetrazol-5-yl)methylidene]piperidine (CID 107058868) is 4-[(2-methyltetrazol-5-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The canonical SMILES for 4-[(2-methyltetrazol-5-yl)methylidene]piperidine is Cn1nnc(C=C2CCNCC2)n1.
What is the InChIKey of 4-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The InChIKey is HMWFAUOEBLXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-7-2-4-9-5-3-7/h6,9H,2-5H2,1H3.
What are the key properties of 4-[(2-methyltetrazol-5-yl)methylidene]piperidine?
4-[(2-methyltetrazol-5-yl)methylidene]piperidine has a molecular weight of 179.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyltetrazol-5-yl)methylidene]piperidine is sourced from PubChem (CID 107058868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).