cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine

C14H21N5 — CID 54901588

IUPACcyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
SMILESCc1cc(C)n2c(C(N)C3CCCCC3)nnc2n1
InChIInChI=1S/C14H21N5/c1-9-8-10(2)19-13(17-18-14(19)16-9)12(15)11-6-4-3-5-7-11/h8,11-12H,3-7,15H2,1-2H3
InChIKeyYIPOSPKBGZCDRK-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.32
Rot. Bonds2

About cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine

cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine (PubChem CID 54901588) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
PubChem CID54901588
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Namecyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
SMILESCc1cc(C)n2c(C(N)C3CCCCC3)nnc2n1
InChIInChI=1S/C14H21N5/c1-9-8-10(2)19-13(17-18-14(19)16-9)12(15)11-6-4-3-5-7-11/h8,11-12H,3-7,15H2,1-2H3
InChIKeyYIPOSPKBGZCDRK-UHFFFAOYSA-N
XLogP2.32
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine?
The IUPAC name of cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine (CID 54901588) is cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine.
What is the SMILES notation for cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine?
The canonical SMILES for cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine is Cc1cc(C)n2c(C(N)C3CCCCC3)nnc2n1.
What is the InChIKey of cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine?
The InChIKey is YIPOSPKBGZCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-8-10(2)19-13(17-18-14(19)16-9)12(15)11-6-4-3-5-7-11/h8,11-12H,3-7,15H2,1-2H3.
What are the key properties of cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine?
cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine has a molecular weight of 259.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine is sourced from PubChem (CID 54901588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).