4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C12H14ClN5 — CID 118995233

IUPAC4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)CCNC1.Cl
InChIInChI=1S/C12H13N5.ClH/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10;/h1-5,13H,6-8H2,(H,14,15,16,17);1H
InChIKeyNAHGOXJJRASGTG-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.67
Rot. Bonds2

About 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 118995233) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID118995233
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESC1=C(c2ccc(-c3nn[nH]n3)cc2)CCNC1.Cl
InChIInChI=1S/C12H13N5.ClH/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10;/h1-5,13H,6-8H2,(H,14,15,16,17);1H
InChIKeyNAHGOXJJRASGTG-UHFFFAOYSA-N
XLogP1.67
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 118995233) is 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is C1=C(c2ccc(-c3nn[nH]n3)cc2)CCNC1.Cl.
What is the InChIKey of 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is NAHGOXJJRASGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5.ClH/c1-3-11(12-14-16-17-15-12)4-2-9(1)10-5-7-13-8-6-10;/h1-5,13H,6-8H2,(H,14,15,16,17);1H.
What are the key properties of 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2H-tetrazol-5-yl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 118995233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).