ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine

C9H17N3 — CID 170731703

IUPACethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
SMILESCC.CCc1nnc(C)nc1C
InChIInChI=1S/C7H11N3.C2H6/c1-4-7-5(2)8-6(3)9-10-7;1-2/h4H2,1-3H3;1-2H3
InChIKeyFJVVLRKMJUKDSF-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.08
Rot. Bonds1

About ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine

ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine (PubChem CID 170731703) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine.

Molecular Properties

Compound Nameethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
PubChem CID170731703
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
SMILESCC.CCc1nnc(C)nc1C
InChIInChI=1S/C7H11N3.C2H6/c1-4-7-5(2)8-6(3)9-10-7;1-2/h4H2,1-3H3;1-2H3
InChIKeyFJVVLRKMJUKDSF-UHFFFAOYSA-N
XLogP2.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
CID 82414076
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propanoic acid
CID 82408541
4-ethyl-2,6-dimethylpyrimidine-5-thiol
CID 142891599
2-ethyl-3,5-dimethylpyrazine
CID 26334
2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
CID 70837931
5-bromo-4-ethyl-2-methylpyrimidine;ethane
CID 162730245
2,4-diethyl-3,5,6-trimethylpyridine
CID 59964349
4-(bromomethyl)-3-ethyl-6-methylpyridazine
CID 104671100
2,4,6-triethyl-5-methylpyrimidine
CID 14199148
3-ethyl-4,5-dimethyl-6-methylsulfanylpyridazine
CID 163770690
2-ethyl-4,5,6-trimethylpyridin-3-ol
CID 20644950
2-ethyl-5,6-dimethyl-3-propan-2-ylpyrazine
CID 89018232

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine?
The IUPAC name of ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine (CID 170731703) is ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine.
What is the SMILES notation for ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine?
The canonical SMILES for ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine is CC.CCc1nnc(C)nc1C.
What is the InChIKey of ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine?
The InChIKey is FJVVLRKMJUKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2H6/c1-4-7-5(2)8-6(3)9-10-7;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine?
ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine has a molecular weight of 167.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine is sourced from PubChem (CID 170731703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).