4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine

C7H7ClN6 — CID 107976184

IUPAC4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
SMILESCn1cnc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C7H7ClN6/c1-14-2-4(10-3-14)5-11-6(8)13-7(9)12-5/h2-3H,1H3,(H2,9,11,12,13)
InChIKeyJJPIWZLTHHJQAR-UHFFFAOYSA-N
MW210.63 g/mol
LogP0.51
Rot. Bonds1

About 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine

4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine (PubChem CID 107976184) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
PubChem CID107976184
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
SMILESCn1cnc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C7H7ClN6/c1-14-2-4(10-3-14)5-11-6(8)13-7(9)12-5/h2-3H,1H3,(H2,9,11,12,13)
InChIKeyJJPIWZLTHHJQAR-UHFFFAOYSA-N
XLogP0.51
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine (CID 107976184) is 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine is Cn1cnc(-c2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is JJPIWZLTHHJQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c1-14-2-4(10-3-14)5-11-6(8)13-7(9)12-5/h2-3H,1H3,(H2,9,11,12,13).
What are the key properties of 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 210.63 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 107976184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).