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

C11H11ClN8O — CID 106375611

IUPAC4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(CNc2nc(Cl)nc(-n3cncn3)n2)oc1C
InChIInChI=1S/C11H11ClN8O/c1-6-7(2)21-8(16-6)3-14-10-17-9(12)18-11(19-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,17,18,19)
InChIKeyGGYMQTXKGQSITJ-UHFFFAOYSA-N
MW306.72 g/mol
LogP1.32
Rot. Bonds4

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

4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 106375611) has the molecular formula C11H11ClN8O and a molecular weight of 306.72 g/mol. Its IUPAC name is 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID106375611
Molecular FormulaC11H11ClN8O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCc1nc(CNc2nc(Cl)nc(-n3cncn3)n2)oc1C
InChIInChI=1S/C11H11ClN8O/c1-6-7(2)21-8(16-6)3-14-10-17-9(12)18-11(19-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,17,18,19)
InChIKeyGGYMQTXKGQSITJ-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

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Related Compounds

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
4-chloro-N-[(5-methylpyrazin-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62865224
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
4-chloro-N-(2-chloroprop-2-enyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195533
6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 114181130
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-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864636
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-[[1-(dimethylamino)cyclobutyl]methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 105419837
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 113313366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 106375611) is 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Cc1nc(CNc2nc(Cl)nc(-n3cncn3)n2)oc1C.
What is the InChIKey of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is GGYMQTXKGQSITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN8O/c1-6-7(2)21-8(16-6)3-14-10-17-9(12)18-11(19-10)20-5-13-4-15-20/h4-5H,3H2,1-2H3,(H,14,17,18,19).
What are the key properties of 4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106375611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).