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

C12H19N7 — CID 175121213

IUPAC6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCC(c1nc(N)nc(N)n1)n1ccnc1C
InChIInChI=1S/C12H19N7/c1-3-4-5-9(19-7-6-15-8(19)2)10-16-11(13)18-12(14)17-10/h6-7,9H,3-5H2,1-2H3,(H4,13,14,16,17,18)
InChIKeyBCYAQDOHGOOGBO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.32
Rot. Bonds5

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

6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine (PubChem CID 175121213) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
PubChem CID175121213
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine
SMILESCCCCC(c1nc(N)nc(N)n1)n1ccnc1C
InChIInChI=1S/C12H19N7/c1-3-4-5-9(19-7-6-15-8(19)2)10-16-11(13)18-12(14)17-10/h6-7,9H,3-5H2,1-2H3,(H4,13,14,16,17,18)
InChIKeyBCYAQDOHGOOGBO-UHFFFAOYSA-N
XLogP1.32
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[1-(2-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-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine (CID 175121213) is 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine is CCCCC(c1nc(N)nc(N)n1)n1ccnc1C.
What is the InChIKey of 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BCYAQDOHGOOGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-3-4-5-9(19-7-6-15-8(19)2)10-16-11(13)18-12(14)17-10/h6-7,9H,3-5H2,1-2H3,(H4,13,14,16,17,18).
What are the key properties of 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine?
6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylimidazol-1-yl)pentyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175121213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).