2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine

C9H13N5O — CID 79817366

IUPAC2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
SMILESCOCCNCc1nnc2ccncn12
InChIInChI=1S/C9H13N5O/c1-15-5-4-10-6-9-13-12-8-2-3-11-7-14(8)9/h2-3,7,10H,4-6H2,1H3
InChIKeyKCIGMZMCBFOQFN-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.14
Rot. Bonds5

About 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine

2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine (PubChem CID 79817366) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
PubChem CID79817366
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine
SMILESCOCCNCc1nnc2ccncn12
InChIInChI=1S/C9H13N5O/c1-15-5-4-10-6-9-13-12-8-2-3-11-7-14(8)9/h2-3,7,10H,4-6H2,1H3
InChIKeyKCIGMZMCBFOQFN-UHFFFAOYSA-N
XLogP-0.14
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.14
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-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine (CID 79817366) is 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine is COCCNCc1nnc2ccncn12.
What is the InChIKey of 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine?
The InChIKey is KCIGMZMCBFOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-5-4-10-6-9-13-12-8-2-3-11-7-14(8)9/h2-3,7,10H,4-6H2,1H3.
What are the key properties of 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine?
2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine has a molecular weight of 207.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-([1,2,4]triazolo[4,3-c]pyrimidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 79817366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).