6-propoxy-1,3,5-triazine-2,4-diamine

C6H11N5O — CID 22729

IUPAC6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyKVMMIYOZBPTUQR-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.18
Rot. Bonds3

About 6-propoxy-1,3,5-triazine-2,4-diamine

6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 22729) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID22729
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(N)n1
InChIInChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11)
InChIKeyKVMMIYOZBPTUQR-UHFFFAOYSA-N
XLogP-0.18
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propoxy-1,3,5-triazine-2,4-diamine (CID 22729) is 6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(N)n1.
What is the InChIKey of 6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is KVMMIYOZBPTUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 6-propoxy-1,3,5-triazine-2,4-diamine?
6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 169.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).