6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C14H21N7 — CID 80985531

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCn3cnnc3C2)c1C
InChIInChI=1S/C14H21N7/c1-9(2)12-17-13(15-4)10(3)14(18-12)20-5-6-21-8-16-19-11(21)7-20/h8-9H,5-7H2,1-4H3,(H,15,17,18)
InChIKeyGOSRVWGXROYSQP-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.56
Rot. Bonds3

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80985531) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80985531
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCn3cnnc3C2)c1C
InChIInChI=1S/C14H21N7/c1-9(2)12-17-13(15-4)10(3)14(18-12)20-5-6-21-8-16-19-11(21)7-20/h8-9H,5-7H2,1-4H3,(H,15,17,18)
InChIKeyGOSRVWGXROYSQP-UHFFFAOYSA-N
XLogP1.56
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80985531) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(N2CCn3cnnc3C2)c1C.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GOSRVWGXROYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-9(2)12-17-13(15-4)10(3)14(18-12)20-5-6-21-8-16-19-11(21)7-20/h8-9H,5-7H2,1-4H3,(H,15,17,18).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80985531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).