4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

C6H9N5 — CID 45091746

IUPAC4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2nn[nH]n2)CCNC1
InChIInChI=1S/C6H9N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1,7H,2-4H2,(H,8,9,10,11)
InChIKeyCMTHGYDCLQZYOI-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.42
Rot. Bonds1

About 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine

4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 45091746) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID45091746
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2nn[nH]n2)CCNC1
InChIInChI=1S/C6H9N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1,7H,2-4H2,(H,8,9,10,11)
InChIKeyCMTHGYDCLQZYOI-UHFFFAOYSA-N
XLogP-0.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine (CID 45091746) is 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is C1=C(c2nn[nH]n2)CCNC1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is CMTHGYDCLQZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-3-7-4-2-5(1)6-8-10-11-9-6/h1,7H,2-4H2,(H,8,9,10,11).
What are the key properties of 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine?
4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 151.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 45091746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).