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

C13H19N5 — CID 79817173

IUPAC1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine
SMILESCc1cc2nnc(CC3(N)CCCC3)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)8-13(14)5-3-4-6-13/h7H,3-6,8,14H2,1-2H3
InChIKeyJVQBSFBMFYESLR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.56
Rot. Bonds2

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

1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine (PubChem CID 79817173) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine
PubChem CID79817173
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine
SMILESCc1cc2nnc(CC3(N)CCCC3)n2c(C)n1
InChIInChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)8-13(14)5-3-4-6-13/h7H,3-6,8,14H2,1-2H3
InChIKeyJVQBSFBMFYESLR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine (CID 79817173) is 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine is Cc1cc2nnc(CC3(N)CCCC3)n2c(C)n1.
What is the InChIKey of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is JVQBSFBMFYESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-7-11-16-17-12(18(11)10(2)15-9)8-13(14)5-3-4-6-13/h7H,3-6,8,14H2,1-2H3.
What are the key properties of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine?
1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79817173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).