N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine

C13H26N6O2 — CID 88848368

IUPACN-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine
SMILESCCCN(O)c1nc(N(O)CCC)nc(N(CC)CC)n1
InChIInChI=1S/C13H26N6O2/c1-5-9-18(20)12-14-11(17(7-3)8-4)15-13(16-12)19(21)10-6-2/h20-21H,5-10H2,1-4H3
InChIKeyVUCWZSVWVHXEMR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.93
Rot. Bonds9

About N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine

N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine (PubChem CID 88848368) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine.

Molecular Properties

Compound NameN-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine
PubChem CID88848368
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC NameN-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine
SMILESCCCN(O)c1nc(N(O)CCC)nc(N(CC)CC)n1
InChIInChI=1S/C13H26N6O2/c1-5-9-18(20)12-14-11(17(7-3)8-4)15-13(16-12)19(21)10-6-2/h20-21H,5-10H2,1-4H3
InChIKeyVUCWZSVWVHXEMR-UHFFFAOYSA-N
XLogP1.93
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
N2,N2-Diethyl-N4,N6-dihydroxy-1,3,5-triazine-2,4,6-triamine
CID 13725134
N-[4-[hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029482
2-Methoxy-4-di-n-propylamino-6-methoxyamino-sym-triazine
CID 129788983
2-N,4-N-dibutyl-2-N,4-N-dimethoxy-1,3,5-triazine-2,4,6-triamine
CID 11347064
2-N,2-N,4-N,4-N,6-N-pentamethoxy-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 17891234
N-ethyl-N-[4-[ethyl(hydroxy)amino]-6-(hydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
CID 18436507
4-N,4-N-diethyl-2-N,2-N-dihydroxy-1,3,5-triazine-2,4,6-triamine
CID 18680642
2-Chloro-4,6-bis(methoxy-n-propylamino)-s-triazine
CID 20475583
N-[4-(diethylamino)-6-(dihydroxyamino)-1,3,5-triazin-2-yl]hydroxylamine;methane
CID 21107876
N-[4-(diethylamino)-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 21135101
N,N-dibutyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 21558202

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine?
The IUPAC name of N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine (CID 88848368) is N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine.
What is the SMILES notation for N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine?
The canonical SMILES for N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine is CCCN(O)c1nc(N(O)CCC)nc(N(CC)CC)n1.
What is the InChIKey of N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine?
The InChIKey is VUCWZSVWVHXEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-5-9-18(20)12-14-11(17(7-3)8-4)15-13(16-12)19(21)10-6-2/h20-21H,5-10H2,1-4H3.
What are the key properties of N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine?
N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine has a molecular weight of 298.39 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-6-[hydroxy(propyl)amino]-1,3,5-triazin-2-yl]-N-propylhydroxylamine is sourced from PubChem (CID 88848368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).