1-(2-propyltetrazol-5-yl)propan-2-one

C7H12N4O — CID 84765417

IUPAC1-(2-propyltetrazol-5-yl)propan-2-one
SMILESCCCn1nnc(CC(C)=O)n1
InChIInChI=1S/C7H12N4O/c1-3-4-11-9-7(8-10-11)5-6(2)12/h3-5H2,1-2H3
InChIKeyLCJNIUOXRKFEHE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.21
Rot. Bonds4

About 1-(2-propyltetrazol-5-yl)propan-2-one

1-(2-propyltetrazol-5-yl)propan-2-one (PubChem CID 84765417) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-propyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-propyltetrazol-5-yl)propan-2-one
PubChem CID84765417
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-(2-propyltetrazol-5-yl)propan-2-one
SMILESCCCn1nnc(CC(C)=O)n1
InChIInChI=1S/C7H12N4O/c1-3-4-11-9-7(8-10-11)5-6(2)12/h3-5H2,1-2H3
InChIKeyLCJNIUOXRKFEHE-UHFFFAOYSA-N
XLogP0.21
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-propyltetrazol-5-yl)propan-2-one (CID 84765417) is 1-(2-propyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-propyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-propyltetrazol-5-yl)propan-2-one is CCCn1nnc(CC(C)=O)n1.
What is the InChIKey of 1-(2-propyltetrazol-5-yl)propan-2-one?
The InChIKey is LCJNIUOXRKFEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-4-11-9-7(8-10-11)5-6(2)12/h3-5H2,1-2H3.
What are the key properties of 1-(2-propyltetrazol-5-yl)propan-2-one?
1-(2-propyltetrazol-5-yl)propan-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 84765417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).