1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol

C13H28N6O7 — CID 158283207

IUPAC1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol
SMILESCOC(OC)(OC)C(CO)C(OC)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H22O7.C3H6N6/c1-12-9(13-2,14-3)8(7-11)10(15-4,16-5)17-6;4-1-7-2(5)9-3(6)8-1/h8,11H,7H2,1-6H3;(H6,4,5,6,7,8,9)
InChIKeyGKLMJQIHYMOQJJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP-1.60
Rot. Bonds9

About 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol

1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol (PubChem CID 158283207) has the molecular formula C13H28N6O7 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol
PubChem CID158283207
Molecular FormulaC13H28N6O7
Molecular Weight380.40 g/mol
Exact Mass380.20
IUPAC Name1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol
SMILESCOC(OC)(OC)C(CO)C(OC)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H22O7.C3H6N6/c1-12-9(13-2,14-3)8(7-11)10(15-4,16-5)17-6;4-1-7-2(5)9-3(6)8-1/h8,11H,7H2,1-6H3;(H6,4,5,6,7,8,9)
InChIKeyGKLMJQIHYMOQJJ-UHFFFAOYSA-N
XLogP-1.60
TPSA192.34 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol (CID 158283207) is 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol is COC(OC)(OC)C(CO)C(OC)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol?
The InChIKey is GKLMJQIHYMOQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7.C3H6N6/c1-12-9(13-2,14-3)8(7-11)10(15-4,16-5)17-6;4-1-7-2(5)9-3(6)8-1/h8,11H,7H2,1-6H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol?
1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol has a molecular weight of 380.40 g/mol, XLogP of -1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol is sourced from PubChem (CID 158283207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).