2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine

C13H19N5 — CID 79817478

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine
SMILESCc1cc2nnc(C3CCCCC3N)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-8-7-12-16-17-13(18(12)9(2)15-8)10-5-3-4-6-11(10)14/h7,10-11H,3-6,14H2,1-2H3
InChIKeyVNQPASQABRYHOK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds1

About 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine

2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine (PubChem CID 79817478) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine
PubChem CID79817478
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine
SMILESCc1cc2nnc(C3CCCCC3N)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-8-7-12-16-17-13(18(12)9(2)15-8)10-5-3-4-6-11(10)14/h7,10-11H,3-6,14H2,1-2H3
InChIKeyVNQPASQABRYHOK-UHFFFAOYSA-N
XLogP1.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-3-pyrrolidin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817922
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815657
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thiomorpholine
CID 82904196
1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine
CID 79817173
5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79816638
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 64815854
4-(2-aminocyclopentyl)-6-methylpyrimidin-2-amine
CID 112710796
1-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-methylpropan-2-amine
CID 79817588
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-1-amine
CID 79817683
5,7-dimethyl-3-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79817915
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3-methylaniline
CID 79817280
3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 79573341

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine (CID 79817478) is 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine is Cc1cc2nnc(C3CCCCC3N)n2c(C)n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine?
The InChIKey is VNQPASQABRYHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-7-12-16-17-13(18(12)9(2)15-8)10-5-3-4-6-11(10)14/h7,10-11H,3-6,14H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine?
2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 79817478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).