cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine

C13H19N5 — CID 62042819

IUPACcyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
SMILESCc1cc2nnc(C(N)C3CCCCC3)n2cn1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-13(18(11)8-15-9)12(14)10-5-3-2-4-6-10/h7-8,10,12H,2-6,14H2,1H3
InChIKeyOMCQENALSJLGPF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds2

About cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine

cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine (PubChem CID 62042819) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
PubChem CID62042819
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Namecyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
SMILESCc1cc2nnc(C(N)C3CCCCC3)n2cn1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-13(18(11)8-15-9)12(14)10-5-3-2-4-6-10/h7-8,10,12H,2-6,14H2,1H3
InChIKeyOMCQENALSJLGPF-UHFFFAOYSA-N
XLogP2.01
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The IUPAC name of cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine (CID 62042819) is cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine is Cc1cc2nnc(C(N)C3CCCCC3)n2cn1.
What is the InChIKey of cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
The InChIKey is OMCQENALSJLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-7-11-16-17-13(18(11)8-15-9)12(14)10-5-3-2-4-6-10/h7-8,10,12H,2-6,14H2,1H3.
What are the key properties of cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine?
cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 62042819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).