1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide

C11H11N9O — CID 80843144

IUPAC1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
SMILESCNc1nc(-n2ccnc2)nc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H11N9O/c1-13-9-15-10(19-5-3-14-6-19)17-11(16-9)20-4-2-7(18-20)8(12)21/h2-6H,1H3,(H2,12,21)(H,13,15,16,17)
InChIKeyBEWIDAPXVNHRIS-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.62
Rot. Bonds4

About 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide

1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide (PubChem CID 80843144) has the molecular formula C11H11N9O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
PubChem CID80843144
Molecular FormulaC11H11N9O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
SMILESCNc1nc(-n2ccnc2)nc(-n2ccc(C(N)=O)n2)n1
InChIInChI=1S/C11H11N9O/c1-13-9-15-10(19-5-3-14-6-19)17-11(16-9)20-4-2-7(18-20)8(12)21/h2-6H,1H3,(H2,12,21)(H,13,15,16,17)
InChIKeyBEWIDAPXVNHRIS-UHFFFAOYSA-N
XLogP-0.62
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)pyrazole-3-carboxamide
CID 80868519
4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80853368
2-imidazol-1-ylpyrimidine-4-carboxamide
CID 141444759
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
4-imidazol-1-yl-N-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80831744
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80868762
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]pyrazole-3-carboxamide
CID 107542386
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976

Frequently Asked Questions

What is the IUPAC name of 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide (CID 80843144) is 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide is CNc1nc(-n2ccnc2)nc(-n2ccc(C(N)=O)n2)n1.
What is the InChIKey of 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
The InChIKey is BEWIDAPXVNHRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N9O/c1-13-9-15-10(19-5-3-14-6-19)17-11(16-9)20-4-2-7(18-20)8(12)21/h2-6H,1H3,(H2,12,21)(H,13,15,16,17).
What are the key properties of 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide?
1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide has a molecular weight of 285.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80843144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).