1-(cyclopropylmethyl)tetrazole

C5H8N4 — CID 22106501

IUPAC1-(cyclopropylmethyl)tetrazole
SMILESc1nnnn1CC1CC1
InChIInChI=1S/C5H8N4/c1-2-5(1)3-9-4-6-7-8-9/h4-5H,1-3H2
InChIKeyZOENJPQKPLXOGE-UHFFFAOYSA-N
MW124.15 g/mol
LogP0.08
Rot. Bonds2

About 1-(cyclopropylmethyl)tetrazole

1-(cyclopropylmethyl)tetrazole (PubChem CID 22106501) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)tetrazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)tetrazole
PubChem CID22106501
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name1-(cyclopropylmethyl)tetrazole
SMILESc1nnnn1CC1CC1
InChIInChI=1S/C5H8N4/c1-2-5(1)3-9-4-6-7-8-9/h4-5H,1-3H2
InChIKeyZOENJPQKPLXOGE-UHFFFAOYSA-N
XLogP0.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)tetrazole?
The IUPAC name of 1-(cyclopropylmethyl)tetrazole (CID 22106501) is 1-(cyclopropylmethyl)tetrazole.
What is the SMILES notation for 1-(cyclopropylmethyl)tetrazole?
The canonical SMILES for 1-(cyclopropylmethyl)tetrazole is c1nnnn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)tetrazole?
The InChIKey is ZOENJPQKPLXOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-5(1)3-9-4-6-7-8-9/h4-5H,1-3H2.
What are the key properties of 1-(cyclopropylmethyl)tetrazole?
1-(cyclopropylmethyl)tetrazole has a molecular weight of 124.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)tetrazole is sourced from PubChem (CID 22106501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).