5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C9H11N5 — CID 19612502

IUPAC5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C=Cn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H11N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h4,6,10H,1,3,5,7H2
InChIKeyQZXBHZBKBVMGLC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.31
Rot. Bonds2

About 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine

5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 19612502) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID19612502
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC=C=Cn1nnc(C2=CCCNC2)n1
InChIInChI=1S/C9H11N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h4,6,10H,1,3,5,7H2
InChIKeyQZXBHZBKBVMGLC-UHFFFAOYSA-N
XLogP0.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 19612502) is 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is C=C=Cn1nnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is QZXBHZBKBVMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-6-14-12-9(11-13-14)8-4-3-5-10-7-8/h4,6,10H,1,3,5,7H2.
What are the key properties of 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 189.22 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propa-1,2-dienyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 19612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).