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

C10H15N5O — CID 66271115

IUPAC2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(Cn1nc2cnccn2c1=O)NC
InChIInChI=1S/C10H15N5O/c1-3-8(11-2)7-15-10(16)14-5-4-12-6-9(14)13-15/h4-6,8,11H,3,7H2,1-2H3
InChIKeyVOFOCFXFYNMPIB-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.11
Rot. Bonds4

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

2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271115) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271115
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCC(Cn1nc2cnccn2c1=O)NC
InChIInChI=1S/C10H15N5O/c1-3-8(11-2)7-15-10(16)14-5-4-12-6-9(14)13-15/h4-6,8,11H,3,7H2,1-2H3
InChIKeyVOFOCFXFYNMPIB-UHFFFAOYSA-N
XLogP-0.11
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271529
2-Butyl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 68675530
2-(Propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 68676957
2-Propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 68677405
2-[4-(Methylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271110
2-[5-(Propylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271111
2-[5-(Ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271112
2-[4-(Propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-[3-(Methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271114
2-[2-[2-(Dimethylamino)ethylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271134
2-[2-Cyclopropyl-2-(ethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271321
2-[2-(Propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271115) is 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCC(Cn1nc2cnccn2c1=O)NC.
What is the InChIKey of 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VOFOCFXFYNMPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-8(11-2)7-15-10(16)14-5-4-12-6-9(14)13-15/h4-6,8,11H,3,7H2,1-2H3.
What are the key properties of 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 221.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).