2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine

C13H23N5 — CID 136837596

IUPAC2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)C(C1CCCCC1)CCN2
InChIInChI=1S/C13H23N5/c14-8-6-12-16-13-15-9-7-11(18(13)17-12)10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,16,17)
InChIKeyMNQKVJBNOJYTQI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds3

About 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine

2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine (PubChem CID 136837596) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
PubChem CID136837596
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)C(C1CCCCC1)CCN2
InChIInChI=1S/C13H23N5/c14-8-6-12-16-13-15-9-7-11(18(13)17-12)10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,16,17)
InChIKeyMNQKVJBNOJYTQI-UHFFFAOYSA-N
XLogP1.72
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine (CID 136837596) is 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine is NCCc1nc2n(n1)C(C1CCCCC1)CCN2.
What is the InChIKey of 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The InChIKey is MNQKVJBNOJYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c14-8-6-12-16-13-15-9-7-11(18(13)17-12)10-4-2-1-3-5-10/h10-11H,1-9,14H2,(H,15,16,17).
What are the key properties of 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclohexyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 136837596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).