5-cyclopropyl-1-propan-2-yltetrazole

C7H12N4 — CID 139307361

IUPAC5-cyclopropyl-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1C1CC1
InChIInChI=1S/C7H12N4/c1-5(2)11-7(6-3-4-6)8-9-10-11/h5-6H,3-4H2,1-2H3
InChIKeyOJSFJZXMLYPOIE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.13
Rot. Bonds2

About 5-cyclopropyl-1-propan-2-yltetrazole

5-cyclopropyl-1-propan-2-yltetrazole (PubChem CID 139307361) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-cyclopropyl-1-propan-2-yltetrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-propan-2-yltetrazole
PubChem CID139307361
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-cyclopropyl-1-propan-2-yltetrazole
SMILESCC(C)n1nnnc1C1CC1
InChIInChI=1S/C7H12N4/c1-5(2)11-7(6-3-4-6)8-9-10-11/h5-6H,3-4H2,1-2H3
InChIKeyOJSFJZXMLYPOIE-UHFFFAOYSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-propan-2-yltetrazole?
The IUPAC name of 5-cyclopropyl-1-propan-2-yltetrazole (CID 139307361) is 5-cyclopropyl-1-propan-2-yltetrazole.
What is the SMILES notation for 5-cyclopropyl-1-propan-2-yltetrazole?
The canonical SMILES for 5-cyclopropyl-1-propan-2-yltetrazole is CC(C)n1nnnc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-propan-2-yltetrazole?
The InChIKey is OJSFJZXMLYPOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(2)11-7(6-3-4-6)8-9-10-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-propan-2-yltetrazole?
5-cyclopropyl-1-propan-2-yltetrazole has a molecular weight of 152.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-propan-2-yltetrazole is sourced from PubChem (CID 139307361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).