N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine

C8H8N4O — CID 146482202

IUPACN-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2ccccn2)n1
InChIInChI=1S/C8H8N4O/c1-9-8-11-7(13-12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H,9,12)
InChIKeyKHRFYRYTVSNBBH-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.17
Rot. Bonds2

About N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine

N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 146482202) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID146482202
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2ccccn2)n1
InChIInChI=1S/C8H8N4O/c1-9-8-11-7(13-12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H,9,12)
InChIKeyKHRFYRYTVSNBBH-UHFFFAOYSA-N
XLogP1.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
CID 12789660
3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53103262
1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
3-(3-propan-2-ylbenzotriazol-5-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53172639
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
5-pyridin-2-yl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727845

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine (CID 146482202) is N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine is CNc1noc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is KHRFYRYTVSNBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-9-8-11-7(13-12-8)6-4-2-3-5-10-6/h2-5H,1H3,(H,9,12).
What are the key properties of N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine?
N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 176.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 146482202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).