[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine

C9H10N4O — CID 63840632

IUPAC[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccnc(-c2noc(CN)n2)c1
InChIInChI=1S/C9H10N4O/c1-6-2-3-11-7(4-6)9-12-8(5-10)14-13-9/h2-4H,5,10H2,1H3
InChIKeyPCHFUDKMAWRMIO-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.90
Rot. Bonds2

About [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 63840632) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID63840632
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1ccnc(-c2noc(CN)n2)c1
InChIInChI=1S/C9H10N4O/c1-6-2-3-11-7(4-6)9-12-8(5-10)14-13-9/h2-4H,5,10H2,1H3
InChIKeyPCHFUDKMAWRMIO-UHFFFAOYSA-N
XLogP0.90
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63839886
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
2-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80741141
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63840491
N-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63839967
N-ethyl-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63841054
[4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66380528
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
3,3-dimethyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 63840927
3-hydroxy-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524813
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 102655457
2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798166

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 63840632) is [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine is Cc1ccnc(-c2noc(CN)n2)c1.
What is the InChIKey of [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is PCHFUDKMAWRMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-2-3-11-7(4-6)9-12-8(5-10)14-13-9/h2-4H,5,10H2,1H3.
What are the key properties of [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 190.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 63840632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).