2-N-methoxy-1,3,5-triazine-2,4,6-triamine

C4H8N6O — CID 11400900

IUPAC2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6O/c1-11-10-4-8-2(5)7-3(6)9-4/h1H3,(H5,5,6,7,8,9,10)
InChIKeyBLRJSXFWDNMKQT-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.99
Rot. Bonds2

About 2-N-methoxy-1,3,5-triazine-2,4,6-triamine

2-N-methoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11400900) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-N-methoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11400900
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6O/c1-11-10-4-8-2(5)7-3(6)9-4/h1H3,(H5,5,6,7,8,9,10)
InChIKeyBLRJSXFWDNMKQT-UHFFFAOYSA-N
XLogP-0.99
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-1,3,5-triazine-2,4,6-triamine (CID 11400900) is 2-N-methoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-1,3,5-triazine-2,4,6-triamine is CONc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BLRJSXFWDNMKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c1-11-10-4-8-2(5)7-3(6)9-4/h1H3,(H5,5,6,7,8,9,10).
What are the key properties of 2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 156.15 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11400900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).