3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol

C12H15ClN6O — CID 106137217

IUPAC3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-6-8-1-2-9(20)5-8)18-12(17-10)19-4-3-14-7-19/h3-4,7-9,20H,1-2,5-6H2,(H,15,16,17,18)
InChIKeyHYTYUQJWHIGEMO-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.28
Rot. Bonds4

About 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol

3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106137217) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106137217
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-6-8-1-2-9(20)5-8)18-12(17-10)19-4-3-14-7-19/h3-4,7-9,20H,1-2,5-6H2,(H,15,16,17,18)
InChIKeyHYTYUQJWHIGEMO-UHFFFAOYSA-N
XLogP1.28
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
3-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106137226
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 62864858
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630373
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870066
4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 62864635

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol (CID 106137217) is 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is OC1CCC(CNc2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is HYTYUQJWHIGEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-16-11(15-6-8-1-2-9(20)5-8)18-12(17-10)19-4-3-14-7-19/h3-4,7-9,20H,1-2,5-6H2,(H,15,16,17,18).
What are the key properties of 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol?
3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 294.75 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).