2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H18N8O — CID 106378957

IUPAC2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(NN)nc(N(C)C)n2)o1
InChIInChI=1S/C11H18N8O/c1-4-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19(2)3/h5H,4,6,12H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDBBDGKRMHNITAS-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.39
Rot. Bonds6

About 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106378957) has the molecular formula C11H18N8O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID106378957
Molecular FormulaC11H18N8O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cnc(CNc2nc(NN)nc(N(C)C)n2)o1
InChIInChI=1S/C11H18N8O/c1-4-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19(2)3/h5H,4,6,12H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDBBDGKRMHNITAS-UHFFFAOYSA-N
XLogP0.39
TPSA118.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
CID 106378956
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114958025
4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 106373482
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115991955
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106043401
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 106378957) is 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCc1cnc(CNc2nc(NN)nc(N(C)C)n2)o1.
What is the InChIKey of 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DBBDGKRMHNITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8O/c1-4-7-5-13-8(20-7)6-14-9-15-10(18-12)17-11(16-9)19(2)3/h5H,4,6,12H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.32 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106378957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).