2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C10H17N5 — CID 23052452

IUPAC2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC=C(c2nnn(C(C)C)n2)CN1
InChIInChI=1S/C10H17N5/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyHTSLTXSMBHUTBS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds2

About 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 23052452) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID23052452
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESCC1CC=C(c2nnn(C(C)C)n2)CN1
InChIInChI=1S/C10H17N5/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9/h5,7-8,11H,4,6H2,1-3H3
InChIKeyHTSLTXSMBHUTBS-UHFFFAOYSA-N
XLogP1.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 23052452) is 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is CC1CC=C(c2nnn(C(C)C)n2)CN1.
What is the InChIKey of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HTSLTXSMBHUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-7(2)15-13-10(12-14-15)9-5-4-8(3)11-6-9/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 207.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-yltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23052452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).