4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

C9H8N4O2 — CID 16763088

IUPAC4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(N)nc(OCC#C)n1
InChIInChI=1S/C9H8N4O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1-2H,5-6H2,(H2,10,11,12,13)
InChIKeyAAGBDPXFTVKZPI-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.52
Rot. Bonds4

About 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine

4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (PubChem CID 16763088) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
PubChem CID16763088
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
SMILESC#CCOc1nc(N)nc(OCC#C)n1
InChIInChI=1S/C9H8N4O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1-2H,5-6H2,(H2,10,11,12,13)
InChIKeyAAGBDPXFTVKZPI-UHFFFAOYSA-N
XLogP-0.52
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Stk047125
CID 2827992
s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
2,4-Diamino-6-butoxy-s-triazine
CID 32856
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2-Azido-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 102034398
Aminopropargyl cyanurate
CID 129778186
N-(prop-2-yn-1-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazin-2-amine
CID 169552871
N-methyl-4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine
CID 4160528
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
4,6-Diethoxy-1,3,5-triazin-2-amine
CID 35395
4-Ethoxy-6-methoxy-1,3,5-triazin-2-amine
CID 12318225

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine (CID 16763088) is 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is C#CCOc1nc(N)nc(OCC#C)n1.
What is the InChIKey of 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
The InChIKey is AAGBDPXFTVKZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h1-2H,5-6H2,(H2,10,11,12,13).
What are the key properties of 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine?
4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine has a molecular weight of 204.19 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-2-ynoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 16763088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).