2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine

C10H13N5O — CID 103436700

IUPAC2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(CCc1ccncc1)c1nnc(N)o1
InChIInChI=1S/C10H13N5O/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13)
InChIKeyUTRNSDMSGGQXHS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.73
Rot. Bonds4

About 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine

2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436700) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436700
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(CCc1ccncc1)c1nnc(N)o1
InChIInChI=1S/C10H13N5O/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13)
InChIKeyUTRNSDMSGGQXHS-UHFFFAOYSA-N
XLogP0.73
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazole-2,5-diamine
CID 6917214
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
5-chloro-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,3-diamine
CID 80503008
6-chloro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,5-diamine
CID 63023072
4-ethyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 142817862
5-fluoro-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791974
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436700) is 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine is CN(CCc1ccncc1)c1nnc(N)o1.
What is the InChIKey of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is UTRNSDMSGGQXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(10-14-13-9(11)16-10)7-4-8-2-5-12-6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,11,13).
What are the key properties of 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 219.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).