5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine

C11H17N7O — CID 106965102

IUPAC5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(Nc2nnc(CCN)o2)nc1CC
InChIInChI=1S/C11H17N7O/c1-3-7-8(4-2)15-17-10(13-7)14-11-18-16-9(19-11)5-6-12/h3-6,12H2,1-2H3,(H,13,14,17,18)
InChIKeyBKIHENGXQLQFBB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.62
Rot. Bonds6

About 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965102) has the molecular formula C11H17N7O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106965102
Molecular FormulaC11H17N7O
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCCc1nnc(Nc2nnc(CCN)o2)nc1CC
InChIInChI=1S/C11H17N7O/c1-3-7-8(4-2)15-17-10(13-7)14-11-18-16-9(19-11)5-6-12/h3-6,12H2,1-2H3,(H,13,14,17,18)
InChIKeyBKIHENGXQLQFBB-UHFFFAOYSA-N
XLogP0.62
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(5,6-diethyl-1,2,4-triazin-3-yl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106965107
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
N'-(5,6-diethyl-1,2,4-triazin-3-yl)butane-1,4-diamine
CID 105362304
5-(2-aminoethyl)-N-(4-propylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968865
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
5-(2-aminoethyl)-N-[(4-ethylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959682
5-(2-aminoethyl)-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964971
5-(2-aminoethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966297
N-[4-(aminomethyl)phenyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363520
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylethanesulfonamide
CID 114176109
5-(2-aminoethyl)-N-(2,5-difluoro-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967359
5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine (CID 106965102) is 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine is CCc1nnc(Nc2nnc(CCN)o2)nc1CC.
What is the InChIKey of 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BKIHENGXQLQFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-7-8(4-2)15-17-10(13-7)14-11-18-16-9(19-11)5-6-12/h3-6,12H2,1-2H3,(H,13,14,17,18).
What are the key properties of 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 263.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).