4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine

C10H14N8 — CID 80837289

IUPAC4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCNCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H14N8/c11-8-14-9(17-4-1-12-2-5-17)16-10(15-8)18-6-3-13-7-18/h3,6-7,12H,1-2,4-5H2,(H2,11,14,15,16)
InChIKeyHXTZTLABBKSVGV-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.95
Rot. Bonds2

About 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80837289) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID80837289
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(N2CCNCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H14N8/c11-8-14-9(17-4-1-12-2-5-17)16-10(15-8)18-6-3-13-7-18/h3,6-7,12H,1-2,4-5H2,(H2,11,14,15,16)
InChIKeyHXTZTLABBKSVGV-UHFFFAOYSA-N
XLogP-0.95
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-imidazol-1-yl-6-(3-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 80781643
1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 80818046

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 80837289) is 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine is Nc1nc(N2CCNCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HXTZTLABBKSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c11-8-14-9(17-4-1-12-2-5-17)16-10(15-8)18-6-3-13-7-18/h3,6-7,12H,1-2,4-5H2,(H2,11,14,15,16).
What are the key properties of 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 246.28 g/mol, XLogP of -0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).