1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine

C12H17N5 — CID 79816818

IUPAC1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nnc3ccncn23)CCCCC1
InChIInChI=1S/C12H17N5/c13-12(5-2-1-3-6-12)8-11-16-15-10-4-7-14-9-17(10)11/h4,7,9H,1-3,5-6,8,13H2
InChIKeyXEKMPYPQCMSAOU-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.33
Rot. Bonds2

About 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine

1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine (PubChem CID 79816818) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
PubChem CID79816818
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nnc3ccncn23)CCCCC1
InChIInChI=1S/C12H17N5/c13-12(5-2-1-3-6-12)8-11-16-15-10-4-7-14-9-17(10)11/h4,7,9H,1-3,5-6,8,13H2
InChIKeyXEKMPYPQCMSAOU-UHFFFAOYSA-N
XLogP1.33
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine (CID 79816818) is 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine is NC1(Cc2nnc3ccncn23)CCCCC1.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is XEKMPYPQCMSAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-12(5-2-1-3-6-12)8-11-16-15-10-4-7-14-9-17(10)11/h4,7,9H,1-3,5-6,8,13H2.
What are the key properties of 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine?
1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 79816818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).