6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine

C8H11N7 — CID 69327704

IUPAC6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N)n1)n1ccnc1
InChIInChI=1S/C8H11N7/c1-5(15-3-2-11-4-15)6-12-7(9)14-8(10)13-6/h2-5H,1H3,(H4,9,10,12,13,14)
InChIKeyVYKCUFFTIHOWIP-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.16
Rot. Bonds2

About 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine

6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 69327704) has the molecular formula C8H11N7 and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID69327704
Molecular FormulaC8H11N7
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N)n1)n1ccnc1
InChIInChI=1S/C8H11N7/c1-5(15-3-2-11-4-15)6-12-7(9)14-8(10)13-6/h2-5H,1H3,(H4,9,10,12,13,14)
InChIKeyVYKCUFFTIHOWIP-UHFFFAOYSA-N
XLogP-0.16
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(1-imidazol-1-ylethyl)-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

Related Compounds

6-(1-imidazol-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 22022641
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide
CID 59921201
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
5-(1-cyclohexylazetidin-3-yl)-3-(1-imidazol-1-ylethyl)-1,2,4-oxadiazole
CID 167947473
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
3-(1-imidazol-1-ylethyl)-5-(2-iodo-4,5-dimethoxyphenyl)-1,2,4-oxadiazole
CID 167803439
carbonic acid;1-propan-2-ylimidazole
CID 175084414

Frequently Asked Questions

What is the IUPAC name of 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 69327704) is 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N)n1)n1ccnc1.
What is the InChIKey of 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VYKCUFFTIHOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-5(15-3-2-11-4-15)6-12-7(9)14-8(10)13-6/h2-5H,1H3,(H4,9,10,12,13,14).
What are the key properties of 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine?
6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 205.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 69327704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).