3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C10H13N5 — CID 19612498

IUPAC3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC#CCn1nnc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H13N5/c1-3-4-15-13-10(12-14-15)9-5-8(2)6-11-7-9/h1,5,8,11H,4,6-7H2,2H3
InChIKeyXQVQMQSVVGUJSF-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.07
Rot. Bonds2

About 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 19612498) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID19612498
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC#CCn1nnc(C2=CC(C)CNC2)n1
InChIInChI=1S/C10H13N5/c1-3-4-15-13-10(12-14-15)9-5-8(2)6-11-7-9/h1,5,8,11H,4,6-7H2,2H3
InChIKeyXQVQMQSVVGUJSF-UHFFFAOYSA-N
XLogP-0.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 19612498) is 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is C#CCn1nnc(C2=CC(C)CNC2)n1.
What is the InChIKey of 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is XQVQMQSVVGUJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-3-4-15-13-10(12-14-15)9-5-8(2)6-11-7-9/h1,5,8,11H,4,6-7H2,2H3.
What are the key properties of 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 203.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 19612498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).