4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine

C12H11N7 — CID 115375454

IUPAC4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1cncc(-c2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H11N7/c1-8-4-9(6-15-5-8)10-16-11(13)18-12(17-10)19-3-2-14-7-19/h2-7H,1H3,(H2,13,16,17,18)
InChIKeyJVXXEYMQUDQFEK-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.01
Rot. Bonds2

About 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 115375454) has the molecular formula C12H11N7 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID115375454
Molecular FormulaC12H11N7
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1cncc(-c2nc(N)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H11N7/c1-8-4-9(6-15-5-8)10-16-11(13)18-12(17-10)19-3-2-14-7-19/h2-7H,1H3,(H2,13,16,17,18)
InChIKeyJVXXEYMQUDQFEK-UHFFFAOYSA-N
XLogP1.01
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-fluoro-4,6-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106882750
4-(5-methyl-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115375453
4-(4-chloro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79699581
4-imidazol-1-yl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503366
4-(5-bromo-2-fluorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 79743243
4-imidazol-1-yl-6-(3-methoxypyrazin-2-yl)-1,3,5-triazin-2-amine
CID 104516651
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80886477
4-(2-fluoro-3-methoxyphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 82792598

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine (CID 115375454) is 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine is Cc1cncc(-c2nc(N)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is JVXXEYMQUDQFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7/c1-8-4-9(6-15-5-8)10-16-11(13)18-12(17-10)19-3-2-14-7-19/h2-7H,1H3,(H2,13,16,17,18).
What are the key properties of 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 253.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(5-methyl-3-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 115375454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).