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

C14H23N7 — CID 175127934

IUPAC6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCC(c1nc(N)nc(N)n1)n1cc(C)nc1CC
InChIInChI=1S/C14H23N7/c1-4-6-7-10(12-18-13(15)20-14(16)19-12)21-8-9(3)17-11(21)5-2/h8,10H,4-7H2,1-3H3,(H4,15,16,18,19,20)
InChIKeyVZZCYSLSTASNQW-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.88
Rot. Bonds6

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

6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine (PubChem CID 175127934) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
PubChem CID175127934
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCC(c1nc(N)nc(N)n1)n1cc(C)nc1CC
InChIInChI=1S/C14H23N7/c1-4-6-7-10(12-18-13(15)20-14(16)19-12)21-8-9(3)17-11(21)5-2/h8,10H,4-7H2,1-3H3,(H4,15,16,18,19,20)
InChIKeyVZZCYSLSTASNQW-UHFFFAOYSA-N
XLogP1.88
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine (CID 175127934) is 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine is CCCCC(c1nc(N)nc(N)n1)n1cc(C)nc1CC.
What is the InChIKey of 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VZZCYSLSTASNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-6-7-10(12-18-13(15)20-14(16)19-12)21-8-9(3)17-11(21)5-2/h8,10H,4-7H2,1-3H3,(H4,15,16,18,19,20).
What are the key properties of 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-ethyl-4-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175127934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).