2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

C17H25N7O2 — CID 120799594

IUPAC2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCc1cc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C17H25N7O2/c1-12-10-14(24-17(21-12)19-11-20-24)22-4-6-23(7-5-22)16(25)15(18)13-2-8-26-9-3-13/h10-11,13,15H,2-9,18H2,1H3
InChIKeyWZJPKQFFUHFTDZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.16
Rot. Bonds3

About 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120799594) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120799594
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCc1cc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)n2ncnc2n1
InChIInChI=1S/C17H25N7O2/c1-12-10-14(24-17(21-12)19-11-20-24)22-4-6-23(7-5-22)16(25)15(18)13-2-8-26-9-3-13/h10-11,13,15H,2-9,18H2,1H3
InChIKeyWZJPKQFFUHFTDZ-UHFFFAOYSA-N
XLogP-0.16
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120799594) is 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is Cc1cc(N2CCN(C(=O)C(N)C3CCOCC3)CC2)n2ncnc2n1.
What is the InChIKey of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is WZJPKQFFUHFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-12-10-14(24-17(21-12)19-11-20-24)22-4-6-23(7-5-22)16(25)15(18)13-2-8-26-9-3-13/h10-11,13,15H,2-9,18H2,1H3.
What are the key properties of 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 359.43 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120799594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).