1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol

C9H20N6O4 — CID 19767305

IUPAC1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
SMILESCOC(OC)(OC)C(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O4.C3H6N6/c1-5(7)6(8-2,9-3)10-4;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyLVIIHJFCMXNDPZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP-1.42
Rot. Bonds4

About 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol

1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol (PubChem CID 19767305) has the molecular formula C9H20N6O4 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
PubChem CID19767305
Molecular FormulaC9H20N6O4
Molecular Weight276.30 g/mol
Exact Mass276.15
IUPAC Name1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
SMILESCOC(OC)(OC)C(C)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O4.C3H6N6/c1-5(7)6(8-2,9-3)10-4;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyLVIIHJFCMXNDPZ-UHFFFAOYSA-N
XLogP-1.42
TPSA164.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxy-2-methylpropan-1-ol
CID 19767293
Tris(propan-2-ol);1,3,5-triazine-2,4,6-triamine
CID 19767295
1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol
CID 19767298
1,1,2,2,3,3-Hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine
CID 19767300
1,1,1,2,3,3-Hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 19767302
1-[[4,6-Bis(2-hydroxypropoxy)-1,3,5-triazin-2-yl]oxy]propan-2-ol
CID 20296845
2-Butoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 67825454
1-Carboxyoxypropan-2-yl hydrogen carbonate;1,3,5-triazine-2,4,6-triamine
CID 69913583
Butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine
CID 87187433
2,2-Dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428922
1,3,5-Triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
CID 158234542
1,3,5-Triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol
CID 158283207

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol (CID 19767305) is 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol is COC(OC)(OC)C(C)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol?
The InChIKey is LVIIHJFCMXNDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C3H6N6/c1-5(7)6(8-2,9-3)10-4;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol?
1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol has a molecular weight of 276.30 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol is sourced from PubChem (CID 19767305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).