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

C12H19N9 — CID 80816943

IUPAC4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-n3cncn3)n2)CC1(C)C
InChIInChI=1S/C12H19N9/c1-12(2)6-20(5-4-19(12)3)10-16-9(13)17-11(18-10)21-8-14-7-15-21/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18)
InChIKeyCSZBOTVCJGOBRU-UHFFFAOYSA-N
MW289.35 g/mol
LogP-0.44
Rot. Bonds2

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

4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80816943) has the molecular formula C12H19N9 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80816943
Molecular FormulaC12H19N9
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-n3cncn3)n2)CC1(C)C
InChIInChI=1S/C12H19N9/c1-12(2)6-20(5-4-19(12)3)10-16-9(13)17-11(18-10)21-8-14-7-15-21/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18)
InChIKeyCSZBOTVCJGOBRU-UHFFFAOYSA-N
XLogP-0.44
TPSA101.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751563
4-morpholin-4-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80767719
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
4-(4-ethoxypiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776487
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
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80751432
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80852867
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 80816943) is 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-n3cncn3)n2)CC1(C)C.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CSZBOTVCJGOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N9/c1-12(2)6-20(5-4-19(12)3)10-16-9(13)17-11(18-10)21-8-14-7-15-21/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18).
What are the key properties of 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 289.35 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80816943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).