N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H22N6O — CID 154736482

IUPACN-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2CN(C)CCO2)n2ncnc2n1
InChIInChI=1S/C14H22N6O/c1-3-4-11-7-13(20-14(18-11)16-10-17-20)15-8-12-9-19(2)5-6-21-12/h7,10,12,15H,3-6,8-9H2,1-2H3
InChIKeyIBJUHSUBVXEQHX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.82
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 154736482) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID154736482
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(NCC2CN(C)CCO2)n2ncnc2n1
InChIInChI=1S/C14H22N6O/c1-3-4-11-7-13(20-14(18-11)16-10-17-20)15-8-12-9-19(2)5-6-21-12/h7,10,12,15H,3-6,8-9H2,1-2H3
InChIKeyIBJUHSUBVXEQHX-UHFFFAOYSA-N
XLogP0.82
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 154736482) is N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(NCC2CN(C)CCO2)n2ncnc2n1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IBJUHSUBVXEQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-4-11-7-13(20-14(18-11)16-10-17-20)15-8-12-9-19(2)5-6-21-12/h7,10,12,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 290.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 154736482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).