N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine

C9H10FN5 — CID 4725597

IUPACN-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccccc1F
InChIInChI=1S/C9H10FN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyALVQYMWVFXFDOR-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.96
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4725597) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4725597
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1ccccc1F
InChIInChI=1S/C9H10FN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14)
InChIKeyALVQYMWVFXFDOR-UHFFFAOYSA-N
XLogP0.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine (CID 4725597) is N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is ALVQYMWVFXFDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-15-9(12-13-14-15)11-6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,11,12,14).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4725597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).