6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine

C11H21N7 — CID 67940125

IUPAC6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine
SMILESCCc1nc(C)cn1CCC1=NCN(N)CN1N
InChIInChI=1S/C11H21N7/c1-3-10-15-9(2)6-16(10)5-4-11-14-7-17(12)8-18(11)13/h6H,3-5,7-8,12-13H2,1-2H3
InChIKeyCILJJUIOPDXEFO-UHFFFAOYSA-N
MW251.34 g/mol
LogP-0.18
Rot. Bonds4

About 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine

6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine (PubChem CID 67940125) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine.

Molecular Properties

Compound Name6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine
PubChem CID67940125
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine
SMILESCCc1nc(C)cn1CCC1=NCN(N)CN1N
InChIInChI=1S/C11H21N7/c1-3-10-15-9(2)6-16(10)5-4-11-14-7-17(12)8-18(11)13/h6H,3-5,7-8,12-13H2,1-2H3
InChIKeyCILJJUIOPDXEFO-UHFFFAOYSA-N
XLogP-0.18
TPSA88.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine?
The IUPAC name of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine (CID 67940125) is 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine.
What is the SMILES notation for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine?
The canonical SMILES for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine is CCc1nc(C)cn1CCC1=NCN(N)CN1N.
What is the InChIKey of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine?
The InChIKey is CILJJUIOPDXEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-3-10-15-9(2)6-16(10)5-4-11-14-7-17(12)8-18(11)13/h6H,3-5,7-8,12-13H2,1-2H3.
What are the key properties of 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine?
6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine has a molecular weight of 251.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyl-4-methylimidazol-1-yl)ethyl]-2,4-dihydro-1,3,5-triazine-1,3-diamine is sourced from PubChem (CID 67940125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).