N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

C12H18N6 — CID 7584402

IUPACN-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC3CCCCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-2-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyROJBMUIVINXRTC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.99
Rot. Bonds3

About N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine

N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7584402) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7584402
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCn1nnc2c(NC3CCCCC3)ncnc21
InChIInChI=1S/C12H18N6/c1-2-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyROJBMUIVINXRTC-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-3-ethyltriazolo[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-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7584402) is N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is CCn1nnc2c(NC3CCCCC3)ncnc21.
What is the InChIKey of N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ROJBMUIVINXRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-18-12-10(16-17-18)11(13-8-14-12)15-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine?
N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 246.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7584402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).