N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C11H9ClN6 — CID 7688242

IUPACN-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(Nc3ccccc3Cl)ncnc21
InChIInChI=1S/C11H9ClN6/c1-18-11-9(16-17-18)10(13-6-14-11)15-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyBGOUEMQBYKKQOT-UHFFFAOYSA-N
MW260.69 g/mol
LogP2.16
Rot. Bonds2

About N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7688242) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7688242
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC NameN-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(Nc3ccccc3Cl)ncnc21
InChIInChI=1S/C11H9ClN6/c1-18-11-9(16-17-18)10(13-6-14-11)15-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15)
InChIKeyBGOUEMQBYKKQOT-UHFFFAOYSA-N
XLogP2.16
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7688242) is N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(Nc3ccccc3Cl)ncnc21.
What is the InChIKey of N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BGOUEMQBYKKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c1-18-11-9(16-17-18)10(13-6-14-11)15-8-5-3-2-4-7(8)12/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 260.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7688242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).