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

C10H21ClN6O — CID 86665974

IUPAC2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCCCNc1nc(NCCC)nc(NOC)n1.Cl
InChIInChI=1S/C10H20N6O.ClH/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3;/h4-7H2,1-3H3,(H3,11,12,13,14,15,16);1H
InChIKeyACCPANASFREMTA-UHFFFAOYSA-N
MW276.77 g/mol
LogP1.91
Rot. Bonds8

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

2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (PubChem CID 86665974) has the molecular formula C10H21ClN6O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.

Molecular Properties

Compound Name2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
PubChem CID86665974
Molecular FormulaC10H21ClN6O
Molecular Weight276.77 g/mol
Exact Mass276.15
IUPAC Name2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
SMILESCCCNc1nc(NCCC)nc(NOC)n1.Cl
InChIInChI=1S/C10H20N6O.ClH/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3;/h4-7H2,1-3H3,(H3,11,12,13,14,15,16);1H
InChIKeyACCPANASFREMTA-UHFFFAOYSA-N
XLogP1.91
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.91
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-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The IUPAC name of 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride (CID 86665974) is 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
What is the SMILES notation for 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The canonical SMILES for 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is CCCNc1nc(NCCC)nc(NOC)n1.Cl.
What is the InChIKey of 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
The InChIKey is ACCPANASFREMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O.ClH/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3;/h4-7H2,1-3H3,(H3,11,12,13,14,15,16);1H.
What are the key properties of 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride?
2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;hydrochloride is sourced from PubChem (CID 86665974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).