N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

C12H18N6 — CID 7424135

IUPACN-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC3CCCCCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyQADBCLGKFARXON-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.89
Rot. Bonds2

About N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine

N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424135) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424135
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC3CCCCCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyQADBCLGKFARXON-UHFFFAOYSA-N
XLogP1.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-3-methyltriazolo[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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7424135) is N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(NC3CCCCCC3)ncnc21.
What is the InChIKey of N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QADBCLGKFARXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 246.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).