3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine

C11H9ClN6 — CID 124908742

IUPAC3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(Cl)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C11H9ClN6/c12-11-14-9(13)8-10(15-11)18(17-16-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15)
InChIKeyUAZQGUVNSUYKHC-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.51
Rot. Bonds2

About 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine

3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 124908742) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine
PubChem CID124908742
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(Cl)nc2c1nnn2Cc1ccccc1
InChIInChI=1S/C11H9ClN6/c12-11-14-9(13)8-10(15-11)18(17-16-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15)
InChIKeyUAZQGUVNSUYKHC-UHFFFAOYSA-N
XLogP1.51
TPSA82.51 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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-5-chlorotriazolo[4,5-d]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

Related Compounds

3,5-dibenzyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135413815
3-benzyl-5-phenyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135818451
3-benzyl-7-benzylsulfanyl-5-phenyltriazolo[4,5-d]pyrimidine
CID 11154090
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
CID 561455
3-benzyl-5-methyl-N-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-amine
CID 43817718
9-benzyl-8-bromo-2-chloropurin-6-amine;9-benzyl-2-chloro-8-methoxypurin-6-amine;carbanide;yttrium
CID 161232784
N'-[5-benzylsulfanyl-3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]ethane-1,2-diamine
CID 168958998
2-[(3-benzyl-5-tert-butyltriazolo[4,5-d]pyrimidin-7-yl)amino]ethanol
CID 3227829
N-[(4-aminophenyl)methyl]-3-benzyltriazolo[4,5-d]pyrimidin-7-amine
CID 10758894
3-benzyl-5-piperidin-1-ium-4-yl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135617351
3-benzyl-7-ethoxytriazolo[4,5-d]pyrimidine
CID 4677502
1-benzyl-5-chlorotetrazole
CID 46835417

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine (CID 124908742) is 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine is Nc1nc(Cl)nc2c1nnn2Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UAZQGUVNSUYKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-11-14-9(13)8-10(15-11)18(17-16-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15).
What are the key properties of 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 260.69 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chlorotriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 124908742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).