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

C9H13N5O — CID 66271114

IUPAC2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNCCCn1nc2cnccn2c1=O
InChIInChI=1S/C9H13N5O/c1-10-3-2-5-14-9(15)13-6-4-11-7-8(13)12-14/h4,6-7,10H,2-3,5H2,1H3
InChIKeyVFJDVERQFYGINO-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.50
Rot. Bonds4

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

2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271114) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271114
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNCCCn1nc2cnccn2c1=O
InChIInChI=1S/C9H13N5O/c1-10-3-2-5-14-9(15)13-6-4-11-7-8(13)12-14/h4,6-7,10H,2-3,5H2,1H3
InChIKeyVFJDVERQFYGINO-UHFFFAOYSA-N
XLogP-0.50
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271114) is 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CNCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VFJDVERQFYGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-10-3-2-5-14-9(15)13-6-4-11-7-8(13)12-14/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 207.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).