N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine

C11H13ClFN5 — CID 2964093

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17)
InChIKeyYYDJTRZDIUAERE-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.49
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 2964093) has the molecular formula C11H13ClFN5 and a molecular weight of 269.71 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID2964093
Molecular FormulaC11H13ClFN5
Molecular Weight269.71 g/mol
Exact Mass269.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17)
InChIKeyYYDJTRZDIUAERE-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine (CID 2964093) is N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is YYDJTRZDIUAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN5/c1-2-6-18-11(15-16-17-18)14-7-8-9(12)4-3-5-10(8)13/h3-5H,2,6-7H2,1H3,(H,14,15,17).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 269.71 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 2964093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).