1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C12H14N4O — CID 43655500

IUPAC1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1cc(-c2noc(CNCC3CC3)n2)ccn1
InChIInChI=1S/C12H14N4O/c1-2-9(1)7-14-8-11-15-12(16-17-11)10-3-5-13-6-4-10/h3-6,9,14H,1-2,7-8H2
InChIKeyLQYYKPVAYKVKBD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.63
Rot. Bonds5

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

1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 43655500) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID43655500
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESc1cc(-c2noc(CNCC3CC3)n2)ccn1
InChIInChI=1S/C12H14N4O/c1-2-9(1)7-14-8-11-15-12(16-17-11)10-3-5-13-6-4-10/h3-6,9,14H,1-2,7-8H2
InChIKeyLQYYKPVAYKVKBD-UHFFFAOYSA-N
XLogP1.63
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 69077002
1-cyclopropyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine;hydrochloride
CID 119947853
1-cyclopropyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine;hydrochloride
CID 119948113
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
1-cyclopropyl-N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 62387570
4-[5-[(pyridin-4-ylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56751844
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 119948139
4-[5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56757805
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 43655500) is 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1cc(-c2noc(CNCC3CC3)n2)ccn1.
What is the InChIKey of 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is LQYYKPVAYKVKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-9(1)7-14-8-11-15-12(16-17-11)10-3-5-13-6-4-10/h3-6,9,14H,1-2,7-8H2.
What are the key properties of 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 230.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 43655500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).