4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C10H11N9 — CID 80852867

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(N)nc(-n3cncn3)n2)n1
InChIInChI=1S/C10H11N9/c1-6-3-7(2)19(17-6)10-15-8(11)14-9(16-10)18-5-12-4-13-18/h3-5H,1-2H3,(H2,11,14,15,16)
InChIKeyLBZKKUAXXXPLQD-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.16
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80852867) has the molecular formula C10H11N9 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80852867
Molecular FormulaC10H11N9
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(N)nc(-n3cncn3)n2)n1
InChIInChI=1S/C10H11N9/c1-6-3-7(2)19(17-6)10-15-8(11)14-9(16-10)18-5-12-4-13-18/h3-5H,1-2H3,(H2,11,14,15,16)
InChIKeyLBZKKUAXXXPLQD-UHFFFAOYSA-N
XLogP-0.16
TPSA113.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853433
1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751563
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80814258
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 66272108
2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80813858
4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-propoxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853858
4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80816943
2-N-(3,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80736972

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 80852867) is 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cc1cc(C)n(-c2nc(N)nc(-n3cncn3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is LBZKKUAXXXPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N9/c1-6-3-7(2)19(17-6)10-15-8(11)14-9(16-10)18-5-12-4-13-18/h3-5H,1-2H3,(H2,11,14,15,16).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 257.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80852867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).