2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H17N5O — CID 66271110

IUPAC2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNC(C)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-9(12-2)4-3-6-16-11(17)15-7-5-13-8-10(15)14-16/h5,7-9,12H,3-4,6H2,1-2H3
InChIKeyWIFCQLLXXZSKBH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds5

About 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271110) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271110
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNC(C)CCCn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O/c1-9(12-2)4-3-6-16-11(17)15-7-5-13-8-10(15)14-16/h5,7-9,12H,3-4,6H2,1-2H3
InChIKeyWIFCQLLXXZSKBH-UHFFFAOYSA-N
XLogP0.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271110) is 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CNC(C)CCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WIFCQLLXXZSKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-9(12-2)4-3-6-16-11(17)15-7-5-13-8-10(15)14-16/h5,7-9,12H,3-4,6H2,1-2H3.
What are the key properties of 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).