3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine

C10H11ClFN5 — CID 62500562

IUPAC3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFN5/c11-7-3-1-4-8(12)9(7)10-14-15-16-17(10)6-2-5-13/h1,3-4H,2,5-6,13H2
InChIKeyPOJAIKATULYHAH-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.48
Rot. Bonds4

About 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine

3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine (PubChem CID 62500562) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
PubChem CID62500562
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC Name3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1-c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFN5/c11-7-3-1-4-8(12)9(7)10-14-15-16-17(10)6-2-5-13/h1,3-4H,2,5-6,13H2
InChIKeyPOJAIKATULYHAH-UHFFFAOYSA-N
XLogP1.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine (CID 62500562) is 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine is NCCCn1nnnc1-c1c(F)cccc1Cl.
What is the InChIKey of 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine?
The InChIKey is POJAIKATULYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c11-7-3-1-4-8(12)9(7)10-14-15-16-17(10)6-2-5-13/h1,3-4H,2,5-6,13H2.
What are the key properties of 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine?
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine has a molecular weight of 255.68 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 62500562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).