4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine

C12H17N5O — CID 55115603

IUPAC4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine
SMILESCc1cc(OC2CCC(N)CC2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-8-6-11(17-12(16-8)14-7-15-17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3
InChIKeyNXRKKUCZMIOYEQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds2

About 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine

4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine (PubChem CID 55115603) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine
PubChem CID55115603
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine
SMILESCc1cc(OC2CCC(N)CC2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-8-6-11(17-12(16-8)14-7-15-17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3
InChIKeyNXRKKUCZMIOYEQ-UHFFFAOYSA-N
XLogP1.08
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine (CID 55115603) is 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine is Cc1cc(OC2CCC(N)CC2)n2ncnc2n1.
What is the InChIKey of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine?
The InChIKey is NXRKKUCZMIOYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-6-11(17-12(16-8)14-7-15-17)18-10-4-2-9(13)3-5-10/h6-7,9-10H,2-5,13H2,1H3.
What are the key properties of 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine?
4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine has a molecular weight of 247.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 55115603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).