4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine

C12H13ClN8 — CID 62864080

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine
SMILESCN(Cc1cnn(C)c1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H13ClN8/c1-19(6-9-5-15-20(2)7-9)11-16-10(13)17-12(18-11)21-4-3-14-8-21/h3-5,7-8H,6H2,1-2H3
InChIKeyBUBYXCNLMVZUQL-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.08
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 62864080) has the molecular formula C12H13ClN8 and a molecular weight of 304.75 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID62864080
Molecular FormulaC12H13ClN8
Molecular Weight304.75 g/mol
Exact Mass304.10
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine
SMILESCN(Cc1cnn(C)c1)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H13ClN8/c1-19(6-9-5-15-20(2)7-9)11-16-10(13)17-12(18-11)21-4-3-14-8-21/h3-5,7-8H,6H2,1-2H3
InChIKeyBUBYXCNLMVZUQL-UHFFFAOYSA-N
XLogP1.08
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine (CID 62864080) is 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine is CN(Cc1cnn(C)c1)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is BUBYXCNLMVZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN8/c1-19(6-9-5-15-20(2)7-9)11-16-10(13)17-12(18-11)21-4-3-14-8-21/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 304.75 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).