4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H11ClN8O — CID 79234521

IUPAC4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1noc(C)c1CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H11ClN8O/c1-6-8(7(2)21-19-6)3-14-10-16-9(12)17-11(18-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,16,17,18)
InChIKeyJSKFUPGIIIIDFE-UHFFFAOYSA-N
MW306.72 g/mol
LogP1.32
Rot. Bonds4

About 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 79234521) has the molecular formula C11H11ClN8O and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID79234521
Molecular FormulaC11H11ClN8O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1noc(C)c1CNc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H11ClN8O/c1-6-8(7(2)21-19-6)3-14-10-16-9(12)17-11(18-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,16,17,18)
InChIKeyJSKFUPGIIIIDFE-UHFFFAOYSA-N
XLogP1.32
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
4-chloro-N-(2-methylsulfanylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 63959659
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
4-chloro-N-[(E)-pent-3-enyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195902
N-but-3-ynyl-4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106194914
4-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 103010009
3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2,3-dimethylbutan-2-ol
CID 106192337
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 105419837
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 113313366
4-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81135119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 79234521) is 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cc1noc(C)c1CNc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JSKFUPGIIIIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN8O/c1-6-8(7(2)21-19-6)3-14-10-16-9(12)17-11(18-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,16,17,18).
What are the key properties of 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 306.72 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79234521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).