3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

C7H8N6 — CID 11159621

IUPAC3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESC1Cc2[nH]nc(-c3nn[nH]n3)c2C1
InChIInChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
InChIKeyLTQYSJKGRPGMPO-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.08
Rot. Bonds1

About 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole

3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (PubChem CID 11159621) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
PubChem CID11159621
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
SMILESC1Cc2[nH]nc(-c3nn[nH]n3)c2C1
InChIInChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
InChIKeyLTQYSJKGRPGMPO-UHFFFAOYSA-N
XLogP0.08
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The IUPAC name of 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole (CID 11159621) is 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is C1Cc2[nH]nc(-c3nn[nH]n3)c2C1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
The InChIKey is LTQYSJKGRPGMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13).
What are the key properties of 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole?
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole has a molecular weight of 176.18 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole is sourced from PubChem (CID 11159621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).