2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine

C9H17N7 — CID 141302210

IUPAC2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine
SMILESCCC1=NC(N)(N)N=C(N2CCN=C2C)N1
InChIInChI=1S/C9H17N7/c1-3-7-13-8(15-9(10,11)14-7)16-5-4-12-6(16)2/h3-5,10-11H2,1-2H3,(H,13,14,15)
InChIKeyWNTVSIIWLFXZBE-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.98
Rot. Bonds1

About 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine

2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine (PubChem CID 141302210) has the molecular formula C9H17N7 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine.

Molecular Properties

Compound Name2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine
PubChem CID141302210
Molecular FormulaC9H17N7
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine
SMILESCCC1=NC(N)(N)N=C(N2CCN=C2C)N1
InChIInChI=1S/C9H17N7/c1-3-7-13-8(15-9(10,11)14-7)16-5-4-12-6(16)2/h3-5,10-11H2,1-2H3,(H,13,14,15)
InChIKeyWNTVSIIWLFXZBE-UHFFFAOYSA-N
XLogP-0.98
TPSA104.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine?
The IUPAC name of 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine (CID 141302210) is 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine.
What is the SMILES notation for 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine?
The canonical SMILES for 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine is CCC1=NC(N)(N)N=C(N2CCN=C2C)N1.
What is the InChIKey of 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine?
The InChIKey is WNTVSIIWLFXZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7/c1-3-7-13-8(15-9(10,11)14-7)16-5-4-12-6(16)2/h3-5,10-11H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine?
2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine has a molecular weight of 223.28 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methyl-4,5-dihydroimidazol-1-yl)-1H-1,3,5-triazine-4,4-diamine is sourced from PubChem (CID 141302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).