N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

C12H10ClFN6 — CID 3242088

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1
InChIInChI=1S/C12H10ClFN6/c1-7-4-11(20-12(16-7)17-18-19-20)15-6-8-2-3-9(14)5-10(8)13/h2-5,15H,6H2,1H3
InChIKeyWEJUXUFYLJZGLE-UHFFFAOYSA-N
MW292.71 g/mol
LogP2.23
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine

N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3242088) has the molecular formula C12H10ClFN6 and a molecular weight of 292.71 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3242088
Molecular FormulaC12H10ClFN6
Molecular Weight292.71 g/mol
Exact Mass292.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1
InChIInChI=1S/C12H10ClFN6/c1-7-4-11(20-12(16-7)17-18-19-20)15-6-8-2-3-9(14)5-10(8)13/h2-5,15H,6H2,1H3
InChIKeyWEJUXUFYLJZGLE-UHFFFAOYSA-N
XLogP2.23
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine (CID 3242088) is N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WEJUXUFYLJZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN6/c1-7-4-11(20-12(16-7)17-18-19-20)15-6-8-2-3-9(14)5-10(8)13/h2-5,15H,6H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine?
N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 292.71 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-methyltetrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3242088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).