4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C10H13N5O — CID 79078348

IUPAC4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(C)Cc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C10H13N5O/c1-15(2)6-9-13-10(16-14-9)7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyBMFONLVNYHNIOV-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.78
Rot. Bonds3

About 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 79078348) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID79078348
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(C)Cc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C10H13N5O/c1-15(2)6-9-13-10(16-14-9)7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyBMFONLVNYHNIOV-UHFFFAOYSA-N
XLogP0.78
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 113291100
2-bromo-4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79078243
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65095158
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65136886
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66067859
5-chloro-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 79077569
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 56720297
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxyaniline
CID 107209241
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-methylthiophen-3-amine
CID 114915968

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 79078348) is 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CN(C)Cc1noc(-c2ccnc(N)c2)n1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is BMFONLVNYHNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(2)6-9-13-10(16-14-9)7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12).
What are the key properties of 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 79078348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).