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

C15H21N7 — CID 56781607

IUPAC2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCn3c(nnc3C3CC3)C2)n1
InChIInChI=1S/C15H21N7/c1-10-8-12(20(2)3)17-15(16-10)21-6-7-22-13(9-21)18-19-14(22)11-4-5-11/h8,11H,4-7,9H2,1-3H3
InChIKeyHUTOJARWFSVZIS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.34
Rot. Bonds3

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

2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine (PubChem CID 56781607) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
PubChem CID56781607
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C)nc(N2CCn3c(nnc3C3CC3)C2)n1
InChIInChI=1S/C15H21N7/c1-10-8-12(20(2)3)17-15(16-10)21-6-7-22-13(9-21)18-19-14(22)11-4-5-11/h8,11H,4-7,9H2,1-3H3
InChIKeyHUTOJARWFSVZIS-UHFFFAOYSA-N
XLogP1.34
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine (CID 56781607) is 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine is Cc1cc(N(C)C)nc(N2CCn3c(nnc3C3CC3)C2)n1.
What is the InChIKey of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
The InChIKey is HUTOJARWFSVZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-10-8-12(20(2)3)17-15(16-10)21-6-7-22-13(9-21)18-19-14(22)11-4-5-11/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine?
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 56781607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).