5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole

C9H15N7 — CID 137437200

IUPAC5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole
SMILESCC(CCC(C)c1nn[nH]n1)c1cn[nH]n1
InChIInChI=1S/C9H15N7/c1-6(8-5-10-14-11-8)3-4-7(2)9-12-15-16-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,14)(H,12,13,15,16)
InChIKeyNBTHGZUVHVEWFX-UHFFFAOYSA-N
MW221.27 g/mol
LogP1.01
Rot. Bonds5

About 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole

5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole (PubChem CID 137437200) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole
PubChem CID137437200
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole
SMILESCC(CCC(C)c1nn[nH]n1)c1cn[nH]n1
InChIInChI=1S/C9H15N7/c1-6(8-5-10-14-11-8)3-4-7(2)9-12-15-16-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,14)(H,12,13,15,16)
InChIKeyNBTHGZUVHVEWFX-UHFFFAOYSA-N
XLogP1.01
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole (CID 137437200) is 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole is CC(CCC(C)c1nn[nH]n1)c1cn[nH]n1.
What is the InChIKey of 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole?
The InChIKey is NBTHGZUVHVEWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-6(8-5-10-14-11-8)3-4-7(2)9-12-15-16-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,14)(H,12,13,15,16).
What are the key properties of 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole?
5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole has a molecular weight of 221.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole is sourced from PubChem (CID 137437200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).