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

C11H16N6 — CID 7192836

IUPACN-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC3CCCCC3)ncnc21
InChIInChI=1S/C11H16N6/c1-17-11-9(15-16-17)10(12-7-13-11)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyVWBBLBYCYNZJKE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds2

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

N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7192836) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7192836
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC NameN-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCn1nnc2c(NC3CCCCC3)ncnc21
InChIInChI=1S/C11H16N6/c1-17-11-9(15-16-17)10(12-7-13-11)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyVWBBLBYCYNZJKE-UHFFFAOYSA-N
XLogP1.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine (CID 7192836) is N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is Cn1nnc2c(NC3CCCCC3)ncnc21.
What is the InChIKey of N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VWBBLBYCYNZJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-17-11-9(15-16-17)10(12-7-13-11)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine?
N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7192836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).