4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine

C11H11ClN8 — CID 106214337

IUPAC4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cn[nH]c1
InChIInChI=1S/C11H11ClN8/c1-7(8-4-14-15-5-8)16-10-17-9(12)18-11(19-10)20-3-2-13-6-20/h2-7H,1H3,(H,14,15)(H,16,17,18,19)
InChIKeyMKLICIZMNLOPME-UHFFFAOYSA-N
MW290.72 g/mol
LogP1.61
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 106214337) has the molecular formula C11H11ClN8 and a molecular weight of 290.72 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID106214337
Molecular FormulaC11H11ClN8
Molecular Weight290.72 g/mol
Exact Mass290.08
IUPAC Name4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cn[nH]c1
InChIInChI=1S/C11H11ClN8/c1-7(8-4-14-15-5-8)16-10-17-9(12)18-11(19-10)20-3-2-13-6-20/h2-7H,1H3,(H,14,15)(H,16,17,18,19)
InChIKeyMKLICIZMNLOPME-UHFFFAOYSA-N
XLogP1.61
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
CID 43539832
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine (CID 106214337) is 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine is CC(Nc1nc(Cl)nc(-n2ccnc2)n1)c1cn[nH]c1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MKLICIZMNLOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN8/c1-7(8-4-14-15-5-8)16-10-17-9(12)18-11(19-10)20-3-2-13-6-20/h2-7H,1H3,(H,14,15)(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 290.72 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106214337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).