(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine

C8H13N5 — CID 107058872

IUPAC(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine
SMILESCn1nnc(/C=C2/CCCNC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-7-3-2-4-9-6-7/h5,9H,2-4,6H2,1H3/b7-5-
InChIKeyIVDRURPMMSHEFW-ALCCZGGFSA-N
MW179.23 g/mol
LogP-0.02
Rot. Bonds1

About (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine

(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine (PubChem CID 107058872) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine.

Molecular Properties

Compound Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine
PubChem CID107058872
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name(3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine
SMILESCn1nnc(/C=C2/CCCNC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-7-3-2-4-9-6-7/h5,9H,2-4,6H2,1H3/b7-5-
InChIKeyIVDRURPMMSHEFW-ALCCZGGFSA-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 (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The IUPAC name of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine (CID 107058872) is (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine.
What is the SMILES notation for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The canonical SMILES for (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine is Cn1nnc(/C=C2/CCCNC2)n1.
What is the InChIKey of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine?
The InChIKey is IVDRURPMMSHEFW-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-11-8(10-12-13)5-7-3-2-4-9-6-7/h5,9H,2-4,6H2,1H3/b7-5-.
What are the key properties of (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine?
(3Z)-3-[(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 (3Z)-3-[(2-methyltetrazol-5-yl)methylidene]piperidine is sourced from PubChem (CID 107058872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).