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

C12H21N5O — CID 80506814

IUPAC[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2nc(C3CC3)no2)C(CN)C1
InChIInChI=1S/C12H21N5O/c1-16-4-5-17(10(6-13)7-16)8-11-14-12(15-18-11)9-2-3-9/h9-10H,2-8,13H2,1H3
InChIKeyBDIQNSMFJSZAEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.02
Rot. Bonds4

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

[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80506814) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80506814
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine
SMILESCN1CCN(Cc2nc(C3CC3)no2)C(CN)C1
InChIInChI=1S/C12H21N5O/c1-16-4-5-17(10(6-13)7-16)8-11-14-12(15-18-11)9-2-3-9/h9-10H,2-8,13H2,1H3
InChIKeyBDIQNSMFJSZAEM-UHFFFAOYSA-N
XLogP0.02
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015735
[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80505901
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553341
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255092
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-2-yl]methanamine
CID 80505800
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 60500807
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63848343
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875

Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine (CID 80506814) is [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine is CN1CCN(Cc2nc(C3CC3)no2)C(CN)C1.
What is the InChIKey of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is BDIQNSMFJSZAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16-4-5-17(10(6-13)7-16)8-11-14-12(15-18-11)9-2-3-9/h9-10H,2-8,13H2,1H3.
What are the key properties of [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine?
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80506814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).