N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H20N6 — CID 106128208

IUPACN-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCC(N)C2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7,14H2,1H3
InChIKeyREGQNYIWWCHAII-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.36
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106128208) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106128208
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC2CCCC(N)C2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7,14H2,1H3
InChIKeyREGQNYIWWCHAII-UHFFFAOYSA-N
XLogP1.36
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106128208) is N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC2CCCC(N)C2)n2ncnc2n1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is REGQNYIWWCHAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-5-12(19-13(18-9)16-8-17-19)15-7-10-3-2-4-11(14)6-10/h5,8,10-11,15H,2-4,6-7,14H2,1H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 260.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106128208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).