5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C10H13N5O — CID 106967245

IUPAC5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C10H13N5O/c1-11-7-9-14-15-10(16-9)13-6-8-3-2-4-12-5-8/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyHCHJXZQKBBWXPW-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.80
Rot. Bonds5

About 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967245) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967245
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NCc2cccnc2)o1
InChIInChI=1S/C10H13N5O/c1-11-7-9-14-15-10(16-9)13-6-8-3-2-4-12-5-8/h2-5,11H,6-7H2,1H3,(H,13,15)
InChIKeyHCHJXZQKBBWXPW-UHFFFAOYSA-N
XLogP0.80
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596399
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969561
5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498272
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(5-chlorothiophen-2-yl)methyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962307
N-[2-(4-methoxyphenyl)ethyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966531
5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 58338473
5-(methylaminomethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154917404
1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106967245) is 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NCc2cccnc2)o1.
What is the InChIKey of 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HCHJXZQKBBWXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-7-9-14-15-10(16-9)13-6-8-3-2-4-12-5-8/h2-5,11H,6-7H2,1H3,(H,13,15).
What are the key properties of 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 219.25 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).