N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

C12H18N6O — CID 55202802

IUPACN-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(-c2ncn[nH]2)no1)C1CC1
InChIInChI=1S/C12H18N6O/c1-2-5-13-9(8-3-4-8)6-10-16-12(18-19-10)11-14-7-15-17-11/h7-9,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyICDUVWIWUMACLJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.18
Rot. Bonds7

About N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 55202802) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID55202802
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(-c2ncn[nH]2)no1)C1CC1
InChIInChI=1S/C12H18N6O/c1-2-5-13-9(8-3-4-8)6-10-16-12(18-19-10)11-14-7-15-17-11/h7-9,13H,2-6H2,1H3,(H,14,15,17)
InChIKeyICDUVWIWUMACLJ-UHFFFAOYSA-N
XLogP1.18
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347673
N-[1-cyclopropyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 104807714
1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346252
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
N-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 60836414
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
N-[1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 64535658
5-(cycloheptylmethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 115679991
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63346839
1-cyclopropyl-2-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 107918247

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 55202802) is N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1nc(-c2ncn[nH]2)no1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is ICDUVWIWUMACLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-5-13-9(8-3-4-8)6-10-16-12(18-19-10)11-14-7-15-17-11/h7-9,13H,2-6H2,1H3,(H,14,15,17).
What are the key properties of N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 262.32 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55202802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).