N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

C10H16N6O — CID 91843547

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1n[nH]c(C)n1)Cc1noc(C)n1
InChIInChI=1S/C10H16N6O/c1-4-16(5-9-11-7(2)13-14-9)6-10-12-8(3)17-15-10/h4-6H2,1-3H3,(H,11,13,14)
InChIKeyMXRSIDHFEKRLMJ-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.83
Rot. Bonds5

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 91843547) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID91843547
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCCN(Cc1n[nH]c(C)n1)Cc1noc(C)n1
InChIInChI=1S/C10H16N6O/c1-4-16(5-9-11-7(2)13-14-9)6-10-12-8(3)17-15-10/h4-6H2,1-3H3,(H,11,13,14)
InChIKeyMXRSIDHFEKRLMJ-UHFFFAOYSA-N
XLogP0.83
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N'-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 119058504
N,5-Dimethyl-N'-4H-1,2,4-triazol-4-yl-1,2,4-oxadiazole-3-carboximidamide
CID 5246608
1-({5-[2-(3-chloro-1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl}methyl)-4-methylpiperazine
CID 56702570
3-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 53631035
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62946634
bis(3,5-dimethyl-1,2,4-oxadiazole);3,5-dimethyl-1H-1,2,4-triazole
CID 160607532
3,5-dimethyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole
CID 160885935
5-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 167249403
N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 61817511
3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792653
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 62792860
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64510646

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine (CID 91843547) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is CCN(Cc1n[nH]c(C)n1)Cc1noc(C)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is MXRSIDHFEKRLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-4-16(5-9-11-7(2)13-14-9)6-10-12-8(3)17-15-10/h4-6H2,1-3H3,(H,11,13,14).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 236.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 91843547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).