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

C16H26N6 — CID 53202352

IUPACN-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1nc2nc(C)cc(N3CCCCC3)n2n1
InChIInChI=1S/C16H26N6/c1-4-8-20(3)12-14-18-16-17-13(2)11-15(22(16)19-14)21-9-6-5-7-10-21/h11H,4-10,12H2,1-3H3
InChIKeyJJGGCIQYXXQIJL-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.26
Rot. Bonds5

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

N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 53202352) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine
PubChem CID53202352
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1nc2nc(C)cc(N3CCCCC3)n2n1
InChIInChI=1S/C16H26N6/c1-4-8-20(3)12-14-18-16-17-13(2)11-15(22(16)19-14)21-9-6-5-7-10-21/h11H,4-10,12H2,1-3H3
InChIKeyJJGGCIQYXXQIJL-UHFFFAOYSA-N
XLogP2.26
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine (CID 53202352) is N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine is CCCN(C)Cc1nc2nc(C)cc(N3CCCCC3)n2n1.
What is the InChIKey of N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is JJGGCIQYXXQIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-4-8-20(3)12-14-18-16-17-13(2)11-15(22(16)19-14)21-9-6-5-7-10-21/h11H,4-10,12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine?
N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 302.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 53202352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).