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

C8H12N6O — CID 102677428

IUPAC3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2nncn2C)n1
InChIInChI=1S/C8H12N6O/c1-5(7-12-9-4-14(7)3)10-8-11-6(2)13-15-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeySFTOVIFCYPNLTM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.68
Rot. Bonds3

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

3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (PubChem CID 102677428) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
PubChem CID102677428
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)c2nncn2C)n1
InChIInChI=1S/C8H12N6O/c1-5(7-12-9-4-14(7)3)10-8-11-6(2)13-15-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeySFTOVIFCYPNLTM-UHFFFAOYSA-N
XLogP0.68
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63586359
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911
2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646
6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 55230468
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine (CID 102677428) is 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)c2nncn2C)n1.
What is the InChIKey of 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is SFTOVIFCYPNLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-5(7-12-9-4-14(7)3)10-8-11-6(2)13-15-8/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 208.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 102677428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).