6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

C12H15N9 — CID 80779197

IUPAC6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cnn(C)c1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15N9/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,(H2,13,16,17,18)
InChIKeyUWUNEMGDYVCVHV-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.01
Rot. Bonds4

About 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80779197) has the molecular formula C12H15N9 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80779197
Molecular FormulaC12H15N9
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1cnn(C)c1)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15N9/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,(H2,13,16,17,18)
InChIKeyUWUNEMGDYVCVHV-UHFFFAOYSA-N
XLogP0.01
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80787769
4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864252
6-imidazol-1-yl-4-N-methyl-4-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80817419
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80779197) is 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CN(Cc1cnn(C)c1)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UWUNEMGDYVCVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9/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,(H2,13,16,17,18).
What are the key properties of 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 285.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80779197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).